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

Systemtic Name: 1-[bis(2-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-(bis-o-tolylmethyl)piperidine-3-carboxylic acid CAS Name: 1-[bis(2-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[bis(2-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(bis-o-tolylmethyl)nipecotic acid Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2C)N3CCCC(C3)C(=O)O

InChI

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