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

Systemtic Name: 1-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylimidazol-2-yl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-methyl-2-imidazolyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylimidazol-2-yl)-(m-tolyl)methyl]isonipecotic acid Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=NC=CN2C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=NC=CN2C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H23N3O2/c1-13-4-3-5-15(12-13)16(17-19-8-11-20(17)2)21-9-6-14(7-10-21)18(22)23/h3-5,8,11-12,14,16H,6-7,9-10H2,1-2H3,(H,22,23)