cycloheptyl 6-(4-methoxyphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: cycloheptyl 6-(4-methoxyphenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: cycloheptyl 6-(4-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 6-(4-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-6-(4-methoxyphenyl)-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid cycloheptyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OC)C(=O)OC3CCCCCC3

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC=C(C=C2)OC)C(=O)OC3CCCCCC3

InChI

InChI=1S/C21H28N2O4/c1-14-18(20(24)27-17-8-6-4-5-7-9-17)19(22-21(25)23(14)2)15-10-12-16(26-3)13-11-15/h10-13,17,19H,4-9H2,1-3H3,(H,22,25)