phenethyl 4-(3-methoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-14-18(20(24)27-12-11-15-7-4-3-5-8-15)19(23-21(25)22-14)16-9-6-10-17(13-16)26-2/h3-10,13,18-19H,1,11-12H2,2H3,(H2,22,23,25)