1-[(3-methoxy-4-phenylmethoxy-phenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(m-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(m-tolyl)methyl]proline Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC4C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC4C(=O)O

InChI

InChI=1S/C27H29NO4/c1-19-8-6-11-21(16-19)26(28-15-7-12-23(28)27(29)30)22-13-14-24(25(17-22)31-2)32-18-20-9-4-3-5-10-20/h3-6,8-11,13-14,16-17,23,26H,7,12,15,18H2,1-2H3,(H,29,30)