2-[4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-5-(2-pyridin-4-ylethylcarbamoyl)-1,4-dihydropyrimidin-3-yl]ethanoic acid

Systemtic Name: 2-[4-(3-chlorophenyl)-6-methyl-2-oxidanylidene-5-(2-pyridin-4-ylethylcarbamoyl)-1,4-dihydropyrimidin-3-yl]ethanoic acid Openeye Name: 2-[4-(3-chlorophenyl)-6-methyl-2-oxo-5-[2-(4-pyridyl)ethylcarbamoyl]-1,4-dihydropyrimidin-3-yl]acetic acid CAS Name: 2-[4-(3-chlorophenyl)-6-methyl-2-oxo-5-[oxo-(2-pyridin-4-ylethylamino)methyl]-1,4-dihydropyrimidin-3-yl]acetic acid IUPAC Name: 2-[4-(3-chlorophenyl)-6-methyl-2-oxo-5-(2-pyridin-4-ylethylcarbamoyl)-1,4-dihydropyrimidin-3-yl]acetic acid Traditional Name: 2-[4-(3-chlorophenyl)-2-keto-6-methyl-5-[2-(4-pyridyl)ethylcarbamoyl]-1,4-dihydropyrimidin-3-yl]acetic acid Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)CC(=O)O)C2=CC(=CC=C2)Cl)C(=O)NCCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(N(C(=O)N1)CC(=O)O)C2=CC(=CC=C2)Cl)C(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C21H21ClN4O4/c1-13-18(20(29)24-10-7-14-5-8-23-9-6-14)19(15-3-2-4-16(22)11-15)26(12-17(27)28)21(30)25-13/h2-6,8-9,11,19H,7,10,12H2,1H3,(H,24,29)(H,25,30)(H,27,28)