1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(o-tolyl)methyl]isonipecotic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

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