[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCC#N)NC(=O)C2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCCC#N)NC(=O)C2CCCCC2)OC

InChI

InChI=1S/C21H27N3O6/c1-28-17-11-15(21(27)30-13-19(25)23-10-6-9-22)16(12-18(17)29-2)24-20(26)14-7-4-3-5-8-14/h11-12,14H,3-8,10,13H2,1-2H3,(H,23,25)(H,24,26)