N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide Traditional Name: N-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]-3,4,5-trimethoxy-benzamide Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CC2CCCCC2)C(=O)NCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(CC2CCCCC2)C(=O)NCC#N

InChI

InChI=1S/C21H29N3O5/c1-27-17-12-15(13-18(28-2)19(17)29-3)20(25)24-16(21(26)23-10-9-22)11-14-7-5-4-6-8-14/h12-14,16H,4-8,10-11H2,1-3H3,(H,23,26)(H,24,25)