(phenylmethyl) 4-(4-ethylphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-ethylphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-(4-ethylphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-ethylphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-ethylphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-3-15-9-11-17(12-10-15)19-18(14(2)22-21(25)23-19)20(24)26-13-16-7-5-4-6-8-16/h4-12,18-19H,2-3,13H2,1H3,(H2,22,23,25)