tert-butyl 2-(3-azanyl-7-cyclohexyl-2-oxidanylidene-azepan-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-azanyl-7-cyclohexyl-2-oxidanylidene-azepan-1-yl)ethanoate Openeye Name: tert-butyl 2-(3-amino-7-cyclohexyl-2-oxo-azepan-1-yl)acetate CAS Name: 2-(3-amino-7-cyclohexyl-2-oxo-1-azepanyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-7-cyclohexyl-2-oxoazepan-1-yl)acetate Traditional Name: 2-(3-amino-7-cyclohexyl-2-keto-azepan-1-yl)acetic acid tert-butyl ester Formula: C18H32N2O3 MolecularWeight: 324.45828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)N)C2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)N)C2CCCCC2

InChI

InChI=1S/C18H32N2O3/c1-18(2,3)23-16(21)12-20-15(13-8-5-4-6-9-13)11-7-10-14(19)17(20)22/h13-15H,4-12,19H2,1-3H3