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

Systemtic Name: (phenylmethyl) 4-(4-ethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-(4-ethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-ethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-ethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-p-phenetyl-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-3-26-17-11-9-16(10-12-17)19-18(14(2)22-21(25)23-19)20(24)27-13-15-7-5-4-6-8-15/h4-12,18-19H,2-3,13H2,1H3,(H2,22,23,25)