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

Systemtic Name: 1-[(2-methylphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylpyrrol-2-yl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylpyrrol-2-yl)-(o-tolyl)methyl]isonipecotic acid Formula: C19H24N2O2 MolecularWeight: 312.40606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CN2C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CN2C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H24N2O2/c1-14-6-3-4-7-16(14)18(17-8-5-11-20(17)2)21-12-9-15(10-13-21)19(22)23/h3-8,11,15,18H,9-10,12-13H2,1-2H3,(H,22,23)