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

Systemtic Name: cycloheptyl (4S)-4-(4-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptyl (4S)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester Formula: C19H23ClN2O3 MolecularWeight: 362.85052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3/c1-12-16(18(23)25-15-6-4-2-3-5-7-15)17(22-19(24)21-12)13-8-10-14(20)11-9-13/h8-11,15,17H,2-7H2,1H3,(H2,21,22,24)/t17-/m0/s1