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

Systemtic Name: 1-[(3-methylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(m-tolyl)methyl]isonipecotic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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