methyl 3-ethanoyl-6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-ethanoyl-6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-acetyl-6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-acetyl-6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyl-6-methyl-2-oxo-4-(3-phenoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-acetyl-2-keto-6-methyl-4-(3-phenoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)C)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)C)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-13-18(20(25)27-3)19(23(14(2)24)21(26)22-13)15-8-7-11-17(12-15)28-16-9-5-4-6-10-16/h4-12,19H,1-3H3,(H,22,26)