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

Systemtic Name: tert-butyl 2-[(3S,6S)-3-azido-2-oxidanylidene-6-phenyl-azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S,6S)-3-azido-2-oxo-6-phenyl-azepan-1-yl]acetate CAS Name: 2-[(3S,6S)-3-azido-2-oxo-6-phenyl-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S,6S)-3-azido-2-oxo-6-phenylazepan-1-yl]acetate Traditional Name: 2-[(3S,6S)-3-azido-2-keto-6-phenyl-azepan-1-yl]acetic acid tert-butyl ester Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC(CCC(C1=O)N=[N+]=[N-])C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-18(2,3)25-16(23)12-22-11-14(13-7-5-4-6-8-13)9-10-15(17(22)24)20-21-19/h4-8,14-15H,9-12H2,1-3H3/t14-,15+/m1/s1