1-[(3,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3,4-dimethoxyphenyl)methyl]isonipecotic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C28H31NO5/c1-32-25-13-10-23(18-26(25)33-2)27(29-16-14-22(15-17-29)28(30)31)21-8-11-24(12-9-21)34-19-20-6-4-3-5-7-20/h3-13,18,22,27H,14-17,19H2,1-2H3,(H,30,31)