3-[(4-methylphenyl)carbonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(4-methylphenyl)carbonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(4-methylbenzoyl)amino]-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(4-methylbenzoyl)amino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-(p-toluoylamino)-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H24N4O3/c1-17-5-7-18(8-6-17)23(29)26-20-16-19(24(30)31)9-10-21(20)27-12-14-28(15-13-27)22-4-2-3-11-25-22/h2-11,16H,12-15H2,1H3,(H,26,29)(H,30,31)