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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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