1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(4-dimethylaminophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(4-dimethylaminophenyl)methyl]proline Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC4C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C27H30N2O3/c1-28(2)23-15-13-21(14-16-23)26(29-17-7-12-25(29)27(30)31)22-10-6-11-24(18-22)32-19-20-8-4-3-5-9-20/h3-6,8-11,13-16,18,25-26H,7,12,17,19H2,1-2H3,(H,30,31)