1-[(3-ethoxy-4-methoxy-phenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)-(4-phenylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)-(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-ethoxy-4-methoxy-phenyl)-(4-phenylphenyl)methyl]proline Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC4C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC4C(=O)O)OC

InChI

InChI=1S/C27H29NO4/c1-3-32-25-18-22(15-16-24(25)31-2)26(28-17-7-10-23(28)27(29)30)21-13-11-20(12-14-21)19-8-5-4-6-9-19/h4-6,8-9,11-16,18,23,26H,3,7,10,17H2,1-2H3,(H,29,30)