3-[(6S)-6-(4-cyanophenyl)-4-methyl-5-morpholin-4-ylcarbonyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid

Systemtic Name: 3-[(6S)-6-(4-cyanophenyl)-4-methyl-5-morpholin-4-ylcarbonyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 3-[(6S)-6-(4-cyanophenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 3-[(6S)-6-(4-cyanophenyl)-4-methyl-5-[4-morpholinyl(oxo)methyl]-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 3-[(6S)-6-(4-cyanophenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 3-[(6S)-6-(4-cyanophenyl)-2-keto-4-methyl-5-(morpholine-4-carbonyl)-1,6-dihydropyrimidin-3-yl]benzoic acid Formula: C24H22N4O5 MolecularWeight: 446.45528

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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)N4CCOCC4

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)N4CCOCC4

InChI

InChI=1S/C24H22N4O5/c1-15-20(22(29)27-9-11-33-12-10-27)21(17-7-5-16(14-25)6-8-17)26-24(32)28(15)19-4-2-3-18(13-19)23(30)31/h2-8,13,21H,9-12H2,1H3,(H,26,32)(H,30,31)/t21-/m0/s1