4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3-chlorophenyl)-3-[(3,3-diphenylpropylamino)-oxomethyl]-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3-chlorophenyl)-3-(3,3-diphenylpropylcarbamoyl)-2-keto-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid Formula: C28H26ClN3O4 MolecularWeight: 503.97674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C28H26ClN3O4/c1-18-24(26(33)34)25(21-13-8-14-22(29)17-21)32(28(36)31-18)27(35)30-16-15-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,17,23,25H,15-16H2,1H3,(H,30,35)(H,31,36)(H,33,34)