2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]nicotinic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=CC=N3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=CC=N3)C(=O)O)C

InChI

InChI=1S/C18H21N3O2/c1-13-5-3-7-16(14(13)2)20-9-11-21(12-10-20)17-15(18(22)23)6-4-8-19-17/h3-8H,9-12H2,1-2H3,(H,22,23)