tert-butyl 2-(3-azanyl-7-cyclohexyl-2-oxidanylidene-5-phenyl-azepan-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-azanyl-7-cyclohexyl-2-oxidanylidene-5-phenyl-azepan-1-yl)ethanoate Openeye Name: tert-butyl 2-(3-amino-7-cyclohexyl-2-oxo-5-phenyl-azepan-1-yl)acetate CAS Name: 2-(3-amino-7-cyclohexyl-2-oxo-5-phenyl-1-azepanyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-amino-7-cyclohexyl-2-oxo-5-phenylazepan-1-yl)acetate Traditional Name: 2-(3-amino-7-cyclohexyl-2-keto-5-phenyl-azepan-1-yl)acetic acid tert-butyl ester Formula: C24H36N2O3 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)N)C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CC(CC(C1=O)N)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C24H36N2O3/c1-24(2,3)29-22(27)16-26-21(18-12-8-5-9-13-18)15-19(14-20(25)23(26)28)17-10-6-4-7-11-17/h4,6-7,10-11,18-21H,5,8-9,12-16,25H2,1-3H3