1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(p-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(p-tolyl)methyl]isonipecotic acid Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C29H33NO5/c1-20-9-11-22(12-10-20)27(30-15-13-23(14-16-30)29(31)32)24-17-25(33-2)28(26(18-24)34-3)35-19-21-7-5-4-6-8-21/h4-12,17-18,23,27H,13-16,19H2,1-3H3,(H,31,32)