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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CC(=C2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CC(=C2)C)N3CCC(CC3)C(=O)O

InChI

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