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

Systemtic Name: cycloheptyl 4-(3-chloranyl-4-ethoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptyl 4-(3-chloro-4-ethoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-chloro-4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(3-chloro-4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-chloro-4-ethoxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OC3CCCCCC3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OC3CCCCCC3)Cl

InChI

InChI=1S/C21H27ClN2O4/c1-3-27-17-11-10-14(12-16(17)22)19-18(13(2)23-21(26)24-19)20(25)28-15-8-6-4-5-7-9-15/h10-12,15,19H,3-9H2,1-2H3,(H2,23,24,26)