[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NCCC#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NCCC#N)C

InChI

InChI=1S/C17H18N2O4/c1-11-4-5-14-13(9-23-17(14)12(11)2)8-16(21)22-10-15(20)19-7-3-6-18/h4-5,9H,3,7-8,10H2,1-2H3,(H,19,20)