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

Systemtic Name: cycloheptyl (4S)-4-(3,4-dichlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptyl (4S)-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3,4-dichlorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester Formula: C19H22Cl2N2O3 MolecularWeight: 397.29558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22Cl2N2O3/c1-11-16(18(24)26-13-6-4-2-3-5-7-13)17(23-19(25)22-11)12-8-9-14(20)15(21)10-12/h8-10,13,17H,2-7H2,1H3,(H2,22,23,25)/t17-/m0/s1