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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

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