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

Systemtic Name: 1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[m-tolyl(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[m-tolyl(p-tolyl)methyl]nipecotic acid Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC(=C2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25NO2/c1-15-8-10-17(11-9-15)20(18-6-3-5-16(2)13-18)22-12-4-7-19(14-22)21(23)24/h3,5-6,8-11,13,19-20H,4,7,12,14H2,1-2H3,(H,23,24)