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

Systemtic Name: 4-chloranylbutyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 4-chlorobutyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl (4R,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(2,5-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 4-chlorobutyl ester Formula: C18H23ClN2O5 MolecularWeight: 382.83862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O5/c1-11-15(17(22)26-9-5-4-8-19)16(21-18(23)20-11)13-10-12(24-2)6-7-14(13)25-3/h6-7,10,15-16H,1,4-5,8-9H2,2-3H3,(H2,20,21,23)/t15-,16+/m1/s1