CAS 436811-20-0

1,2,3,4-Tetrahydro-2-(4-methylbenzoyl)-3-isoquinolinecarboxylic acid

Description:

1,2,3,4-Tetrahydro-2-(4-methylbenzoyl)-3-isoquinolinecarboxylic acid is a chemical compound characterized by its complex structure, which includes a tetrahydroisoquinoline core. This compound features a carboxylic acid functional group and a 4-methylbenzoyl substituent, contributing to its potential biological activity. The presence of the tetrahydro ring system suggests that it may exhibit unique stereochemical properties, influencing its interactions in biological systems. The compound is likely to be soluble in organic solvents, and its carboxylic acid group may impart some degree of hydrophilicity, affecting its solubility in aqueous environments. Its molecular structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting various biological pathways. Additionally, the compound's CAS number, 436811-20-0, allows for easy identification and retrieval of information in chemical databases. Overall, this compound's unique structural features may provide insights into its reactivity and potential therapeutic uses.

Formula: C₁₈H₁₇NO₃

InChI: InChI=1/C18H17NO3/c1-12-6-8-13(9-7-12)17(20)19-11-15-5-3-2-4-14(15)10-16(19)18(21)22/h2-9,16H,10-11H2,1H3,(H,21,22)/p-1/t16-/m0/s1

InChI key: InChIKey=KCVCTQYFLDSAOL-UHFFFAOYSA-N

SMILES: C(=O)(N1C(C(O)=O)CC=2C(C1)=CC=CC2)C3=CC=C(C)C=C3

Synonyms:

• 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(4-methylbenzoyl)-
• 2-(4-Methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
• 1,2,3,4-Tetrahydro-2-(4-methylbenzoyl)-3-isoquinolinecarboxylic acid
• 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• 2-(4-Methyl-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
• TIMTEC-BB SBB012302

2-(4-Methyl-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid

CAS: 436811-20-0

Purity: 95.0%

Molecular weight: 295.3380126953125

Ref: 10-F028721