tert-butyl N-[(3S)-1-(cyclohexylcarbamoyl)-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-1-(cyclohexylcarbamoyl)-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[(3S)-1-(cyclohexylcarbamoyl)-2-oxo-azepan-3-yl]carbamate CAS Name: N-[(3S)-1-[(cyclohexylamino)-oxomethyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-1-(cyclohexylcarbamoyl)-2-oxoazepan-3-yl]carbamate Traditional Name: N-[(3S)-1-(cyclohexylcarbamoyl)-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C18H31N3O4 MolecularWeight: 353.45644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)C(=O)NC2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCCN(C1=O)C(=O)NC2CCCCC2

InChI

InChI=1S/C18H31N3O4/c1-18(2,3)25-17(24)20-14-11-7-8-12-21(15(14)22)16(23)19-13-9-5-4-6-10-13/h13-14H,4-12H2,1-3H3,(H,19,23)(H,20,24)/t14-/m0/s1