[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CN2CCCCCC2=O

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C18H20ClN3O4/c1-12(18(25)21-14-7-6-13(10-20)15(19)9-14)26-17(24)11-22-8-4-2-3-5-16(22)23/h6-7,9,12H,2-5,8,11H2,1H3,(H,21,25)/t12-/m1/s1