ethyl (4S,5R)-4-(4-butoxy-3-chloranyl-5-ethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(4-butoxy-3-chloranyl-5-ethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(4-butoxy-3-chloro-5-ethoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-butoxy-3-chloro-5-ethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(4-butoxy-3-chloro-5-ethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-butoxy-3-chloro-5-ethoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H27ClN2O5 MolecularWeight: 410.89178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C2C(C(=C)NC(=O)N2)C(=O)OCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC)OCC

InChI

InChI=1S/C20H27ClN2O5/c1-5-8-9-28-18-14(21)10-13(11-15(18)26-6-2)17-16(19(24)27-7-3)12(4)22-20(25)23-17/h10-11,16-17H,4-9H2,1-3H3,(H2,22,23,25)/t16-,17+/m0/s1