[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(2-oxochromen-7-yl)oxyacetate CAS Name: 2-[(2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-ketochromen-7-yl)oxyacetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)COC1=CC2=C(C=C1)C=CC(=O)O2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)COC1=CC2=C(C=C1)C=CC(=O)O2)C3(CCCCC3)C#N

InChI

InChI=1S/C21H22N2O6/c1-23(21(14-22)9-3-2-4-10-21)18(24)12-28-20(26)13-27-16-7-5-15-6-8-19(25)29-17(15)11-16/h5-8,11H,2-4,9-10,12-13H2,1H3