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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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