tert-butyl 2-(3-bromanyl-2-oxidanylidene-7-phenyl-azepan-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(3-bromanyl-2-oxidanylidene-7-phenyl-azepan-1-yl)ethanoate Openeye Name: tert-butyl 2-(3-bromo-2-oxo-7-phenyl-azepan-1-yl)acetate CAS Name: 2-(3-bromo-2-oxo-7-phenyl-1-azepanyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-bromo-2-oxo-7-phenylazepan-1-yl)acetate Traditional Name: 2-(3-bromo-2-keto-7-phenyl-azepan-1-yl)acetic acid tert-butyl ester Formula: C18H24BrNO3 MolecularWeight: 382.29206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)Br)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)Br)C2=CC=CC=C2

InChI

InChI=1S/C18H24BrNO3/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/h4-6,8-9,14-15H,7,10-12H2,1-3H3