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

Systemtic Name: pentyl (4S,5R)-4-(2,4-dichlorophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: pentyl (4S,5R)-4-(2,4-dichlorophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2,4-dichlorophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4S,5R)-4-(2,4-dichlorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2,4-dichlorophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid amyl ester Formula: C17H20Cl2N2O3 MolecularWeight: 371.2583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(NC(=O)NC1=C)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H20Cl2N2O3/c1-3-4-5-8-24-16(22)14-10(2)20-17(23)21-15(14)12-7-6-11(18)9-13(12)19/h6-7,9,14-15H,2-5,8H2,1H3,(H2,20,21,23)/t14-,15+/m0/s1