ethyl (3S,4R)-4-(5-chloranyl-2-oxidanylidene-3H-benzimidazol-1-yl)-3-oxidanyl-piperidine-1-carboxylate

Systemtic Name: ethyl (3S,4R)-4-(5-chloranyl-2-oxidanylidene-3H-benzimidazol-1-yl)-3-oxidanyl-piperidine-1-carboxylate Openeye Name: ethyl (3S,4R)-4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-piperidine-1-carboxylate CAS Name: (3S,4R)-4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)-3-hydroxypiperidine-1-carboxylate Traditional Name: (3S,4R)-4-(5-chloro-2-keto-3H-benzimidazol-1-yl)-3-hydroxy-piperidine-1-carboxylic acid ethyl ester Formula: C15H18ClN3O4 MolecularWeight: 339.77412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(C(C1)O)N2C3=C(C=C(C=C3)Cl)NC2=O

Isomeric SMILES

CCOC(=O)N1CC[C@H]([C@H](C1)O)N2C3=C(C=C(C=C3)Cl)NC2=O

InChI

InChI=1S/C15H18ClN3O4/c1-2-23-15(22)18-6-5-12(13(20)8-18)19-11-4-3-9(16)7-10(11)17-14(19)21/h3-4,7,12-13,20H,2,5-6,8H2,1H3,(H,17,21)/t12-,13+/m1/s1