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

Systemtic Name: 1-[(3-methylphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylpyrrol-2-yl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylpyrrol-2-yl)-(m-tolyl)methyl]isonipecotic acid Formula: C19H24N2O2 MolecularWeight: 312.40606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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