1-[(3-methoxy-4-phenylmethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-phenyl-methyl]isonipecotic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO4/c1-31-25-18-23(12-13-24(25)32-19-20-8-4-2-5-9-20)26(21-10-6-3-7-11-21)28-16-14-22(15-17-28)27(29)30/h2-13,18,22,26H,14-17,19H2,1H3,(H,29,30)