5-[(4-methylphenyl)carbonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-methylphenyl)carbonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-methylbenzoyl)amino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid CAS Name: 5-[[(4-methylphenyl)-oxomethyl]amino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-methylbenzoyl)amino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 5-(p-toluoylamino)-2-[4-(2-pyrimidyl)piperazino]benzoic acid Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O3/c1-16-3-5-17(6-4-16)21(29)26-18-7-8-20(19(15-18)22(30)31)27-11-13-28(14-12-27)23-24-9-2-10-25-23/h2-10,15H,11-14H2,1H3,(H,26,29)(H,30,31)