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

Systemtic Name: cycloheptyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: cycloheptyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 6-(1,3-benzodioxol-5-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid cycloheptyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2)OCO3)C(=O)OC4CCCCCC4

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2)OCO3)C(=O)OC4CCCCCC4

InChI

InChI=1S/C21H26N2O5/c1-13-18(20(24)28-15-7-5-3-4-6-8-15)19(22-21(25)23(13)2)14-9-10-16-17(11-14)27-12-26-16/h9-11,15,19H,3-8,12H2,1-2H3,(H,22,25)