cycloheptyl 4-(3-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: cycloheptyl 4-(3-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: cycloheptyl 4-(3-ethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(3-ethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-(3-ethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-m-phenetyl-hexahydropyrimidine-5-carboxylic acid cycloheptyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4/c1-3-26-17-12-8-9-15(13-17)19-18(14(2)22-21(25)23-19)20(24)27-16-10-6-4-5-7-11-16/h8-9,12-13,16,18-19H,2-7,10-11H2,1H3,(H2,22,23,25)