tert-butyl 2-[(3S,6S)-3-azanyl-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3S,6S)-3-azanyl-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S,6S)-3-amino-2-oxo-6-phenyl-azepan-1-yl]acetate CAS Name: 2-[(3S,6S)-3-amino-2-oxo-6-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S,6S)-3-amino-2-oxo-6-phenylazepan-1-yl]acetate Traditional Name: 2-[(3S,6S)-3-amino-2-keto-6-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC(CCC(C1=O)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C[C@@H](CC[C@@H](C1=O)N)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-18(2,3)23-16(21)12-20-11-14(9-10-15(19)17(20)22)13-7-5-4-6-8-13/h4-8,14-15H,9-12,19H2,1-3H3/t14-,15+/m1/s1