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

Systemtic Name: (phenylmethyl) 4-methylidene-2-oxidanylidene-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-methylene-2-oxo-6-(3-phenoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-2-oxo-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methylidene-2-oxo-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: 2-keto-4-methylene-6-(3-phenoxyphenyl)hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c1-17-22(24(28)30-16-18-9-4-2-5-10-18)23(27-25(29)26-17)19-11-8-14-21(15-19)31-20-12-6-3-7-13-20/h2-15,22-23H,1,16H2,(H2,26,27,29)