1-[(4-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(p-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-methylphenyl)-(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(p-tolyl)methyl]isonipecotic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO3/c1-20-7-9-22(10-8-20)26(28-17-15-24(16-18-28)27(29)30)23-11-13-25(14-12-23)31-19-21-5-3-2-4-6-21/h2-14,24,26H,15-19H2,1H3,(H,29,30)