cycloheptyl (4S)-6-methyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cycloheptyl (4S)-6-methyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester Formula: C19H24N2O3 MolecularWeight: 328.40546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OC3CCCCCC3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC=CC=C2)C(=O)OC3CCCCCC3

InChI

InChI=1S/C19H24N2O3/c1-13-16(18(22)24-15-11-7-2-3-8-12-15)17(21-19(23)20-13)14-9-5-4-6-10-14/h4-6,9-10,15,17H,2-3,7-8,11-12H2,1H3,(H2,20,21,23)/t17-/m0/s1