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CAS 156755-35-0

:

Methyl 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoate

Description:
Methyl 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoate, with CAS number 156755-35-0, is a synthetic organic compound characterized by its complex molecular structure, which includes a benzoate moiety and a phenylpropyl group. This compound features a chiral center, indicated by the (1R) configuration, which can influence its biological activity and interactions. The presence of the bis(1-methylethyl)amino group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific receptors or pathways. Its phenylmethoxy substituent may enhance lipophilicity, affecting solubility and permeability. The compound's properties, such as melting point, boiling point, and solubility, would be influenced by its molecular interactions and functional groups. As with many organic compounds, safety data and handling precautions are essential, particularly regarding its potential toxicity and environmental impact. Overall, this compound represents a class of molecules that may have significant implications in drug design and development.
Formula:C30H37NO3
InChI:InChI=1S/C30H37NO3/c1-22(2)31(23(3)4)19-18-27(25-14-10-7-11-15-25)28-20-26(30(32)33-5)16-17-29(28)34-21-24-12-8-6-9-13-24/h6-17,20,22-23,27H,18-19,21H2,1-5H3/t27-/m1/s1
InChI key:InChIKey=YRJYQILAWNHFTB-HHHXNRCGSA-N
SMILES:[C@H](CCN(C(C)C)C(C)C)(C1=C(OCC2=CC=CC=C2)C=CC(C(OC)=O)=C1)C3=CC=CC=C3
Synonyms:
  • Benzoic acid, 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)-, methyl ester
  • (R)-Methyl 4-(benzyloxy)-3-(3-(diisopropylamino)-1-phenylpropyl)benzoate
  • Methyl 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoate
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