[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O6/c1-15(21(27)24-22(14-23)9-3-2-4-10-22)30-20(26)8-6-17(25)16-5-7-18-19(13-16)29-12-11-28-18/h5,7,13,15H,2-4,6,8-12H2,1H3,(H,24,27)