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

Systemtic Name: 3-[(3-methylphenyl)carbonylamino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-methylbenzoyl)amino]-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3-methylbenzoyl)amino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-(m-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=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

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

InChI

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