[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-3-benzofuranyl)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)N(CCC#N)CCC#N)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OCC(=O)N(CCC#N)CCC#N)C

InChI

InChI=1S/C20H21N3O4/c1-14-9-17-16(12-26-18(17)10-15(14)2)11-20(25)27-13-19(24)23(7-3-5-21)8-4-6-22/h9-10,12H,3-4,7-8,11,13H2,1-2H3