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

Systemtic Name: 1-[(2-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[o-tolyl(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[o-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=C2C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

InChI

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