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

Systemtic Name: 1-[bis(3-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-(bis-m-tolylmethyl)piperidine-3-carboxylic acid CAS Name: 1-[bis(3-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[bis(3-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(bis-m-tolylmethyl)nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

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

InChI

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