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

Systemtic Name: 1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(o-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(o-tolyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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