ethyl 3-(3-hexyl-6-methyl-4-oxidanylidene-3-azabicyclo[3.1.0]hexan-6-yl)benzenecarboximidate hydrochloride

Systemtic Name: ethyl 3-(3-hexyl-6-methyl-4-oxidanylidene-3-azabicyclo[3.1.0]hexan-6-yl)benzenecarboximidate hydrochloride Openeye Name: ethyl 3-(3-hexyl-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-6-yl)benzenecarboximidate hydrochloride CAS Name: 3-(3-hexyl-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-6-yl)benzenecarboximidic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-(3-hexyl-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-6-yl)benzenecarboximidate hydrochloride Traditional Name: 3-(3-hexyl-4-keto-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)benzenecarboximidic acid ethyl ester hydrochloride Formula: C21H31ClN2O2 MolecularWeight: 378.93604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC2C(C1=O)C2(C)C3=CC=CC(=C3)C(=N)OCC.Cl

Isomeric SMILES

CCCCCCN1CC2C(C1=O)C2(C)C3=CC=CC(=C3)C(=N)OCC.Cl

InChI

InChI=1S/C21H30N2O2.ClH/c1-4-6-7-8-12-23-14-17-18(20(23)24)21(17,3)16-11-9-10-15(13-16)19(22)25-5-2;/h9-11,13,17-18,22H,4-8,12,14H2,1-3H3;1H