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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(m-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(m-tolyl)methyl]proline Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=CC(=C2)C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=CC(=C2)C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31NO4/c1-3-32-26-18-23(14-15-25(26)33-19-21-10-5-4-6-11-21)27(22-12-7-9-20(2)17-22)29-16-8-13-24(29)28(30)31/h4-7,9-12,14-15,17-18,24,27H,3,8,13,16,19H2,1-2H3,(H,30,31)