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

Systemtic Name: 2-[1-(cyanomethylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-3,4-dimethoxy-benzamide Openeye Name: 2-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-oxo-ethyl]-3,4-dimethoxy-benzamide CAS Name: 2-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide IUPAC Name: 2-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3,4-dimethoxybenzamide Traditional Name: 2-[2-(cyanomethylamino)-1-(cyclohexylmethyl)-2-keto-ethyl]-3,4-dimethoxy-benzamide Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N)C(CC2CCCCC2)C(=O)NCC#N)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N)C(CC2CCCCC2)C(=O)NCC#N)OC

InChI

InChI=1S/C20H27N3O4/c1-26-16-9-8-14(19(22)24)17(18(16)27-2)15(20(25)23-11-10-21)12-13-6-4-3-5-7-13/h8-9,13,15H,3-7,11-12H2,1-2H3,(H2,22,24)(H,23,25)