ethyl 6-(4-chlorophenyl)-4-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-4-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-4-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-4-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-6-(4-chlorophenyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H26ClN3O5 MolecularWeight: 459.92264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)C)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)Cl)C)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C23H26ClN3O5/c1-6-31-21(28)16-12(3)18(25-13(16)4)20-17(22(29)32-7-2)19(26-23(30)27(20)5)14-8-10-15(24)11-9-14/h8-11,19,25H,6-7H2,1-5H3,(H,26,30)