tert-butyl 2-(3-chloranyl-7-methyl-2-oxidanylidene-azepan-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-chloranyl-7-methyl-2-oxidanylidene-azepan-1-yl)ethanoate Openeye Name: tert-butyl 2-(3-chloro-7-methyl-2-oxo-azepan-1-yl)acetate CAS Name: 2-(3-chloro-7-methyl-2-oxo-1-azepanyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-chloro-7-methyl-2-oxoazepan-1-yl)acetate Traditional Name: 2-(3-chloro-2-keto-7-methyl-azepan-1-yl)acetic acid tert-butyl ester Formula: C13H22ClNO3 MolecularWeight: 275.77168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C(=O)N1CC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1CCCC(C(=O)N1CC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C13H22ClNO3/c1-9-6-5-7-10(14)12(17)15(9)8-11(16)18-13(2,3)4/h9-10H,5-8H2,1-4H3