3-[6-(4-cyanophenyl)-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid

Systemtic Name: 3-[6-(4-cyanophenyl)-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 3-[6-(4-cyanophenyl)-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 3-[6-(4-cyanophenyl)-5-[(2-methoxyanilino)-oxomethyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 3-[6-(4-cyanophenyl)-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 3-[6-(4-cyanophenyl)-2-keto-5-[(2-methoxyphenyl)carbamoyl]-4-methyl-1,6-dihydropyrimidin-3-yl]benzoic acid Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H22N4O5/c1-16-23(25(32)29-21-8-3-4-9-22(21)36-2)24(18-12-10-17(15-28)11-13-18)30-27(35)31(16)20-7-5-6-19(14-20)26(33)34/h3-14,24H,1-2H3,(H,29,32)(H,30,35)(H,33,34)