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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(p-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(p-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=C(C=C2)C)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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