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

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

Isomeric SMILES

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

InChI

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