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

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetate CAS Name: 2-(6-methyl-5-propan-2-yl-3-benzofuranyl)acetic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)OCC(=O)N(CCC#N)CCC#N)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)OCC(=O)N(CCC#N)CCC#N)C(C)C

InChI

InChI=1S/C22H25N3O4/c1-15(2)18-12-19-17(13-28-20(19)10-16(18)3)11-22(27)29-14-21(26)25(8-4-6-23)9-5-7-24/h10,12-13,15H,4-5,8-9,11,14H2,1-3H3