2-phenoxyethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-phenoxyethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-phenoxyethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3,4-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-phenoxyethyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCOC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCOC3=CC=CC=C3)OC

InChI

InChI=1S/C22H24N2O6/c1-14-19(21(25)30-12-11-29-16-7-5-4-6-8-16)20(24-22(26)23-14)15-9-10-17(27-2)18(13-15)28-3/h4-10,13,19-20H,1,11-12H2,2-3H3,(H2,23,24,26)/t19-,20+/m1/s1