2-[2-[[4-[(4-methylphenyl)carbonylamino]phenyl]methyl]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[[4-[(4-methylphenyl)carbonylamino]phenyl]methyl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]methyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[4-(p-toluoylamino)benzyl]pyrimidin-5-yl]acetic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=NC=C(C=N3)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC3=NC=C(C=N3)CC(=O)O

InChI

InChI=1S/C21H19N3O3/c1-14-2-6-17(7-3-14)21(27)24-18-8-4-15(5-9-18)10-19-22-12-16(13-23-19)11-20(25)26/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26)