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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-methylidene-2-oxidanylidene-6-(3-phenoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: 1,3-benzodioxol-5-ylmethyl 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 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 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 piperonyl ester Formula: C26H22N2O6 MolecularWeight: 458.46268

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22N2O6/c1-16-23(25(29)31-14-17-10-11-21-22(12-17)33-15-32-21)24(28-26(30)27-16)18-6-5-9-20(13-18)34-19-7-3-2-4-8-19/h2-13,23-24H,1,14-15H2,(H2,27,28,30)