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

Systemtic Name: 1-[(4-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-phenoxyphenyl)-(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methylphenyl)-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-phenoxyphenyl)-(p-tolyl)methyl]nipecotic acid Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C26H27NO3/c1-19-12-14-20(15-13-19)25(27-16-6-8-22(18-27)26(28)29)21-7-5-11-24(17-21)30-23-9-3-2-4-10-23/h2-5,7,9-15,17,22,25H,6,8,16,18H2,1H3,(H,28,29)