[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate Traditional Name: 4-keto-6-methyl-chromene-2-carboxylic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H22N2O5/c1-13-6-7-17-15(10-13)16(24)11-18(28-17)20(26)27-14(2)19(25)23-21(12-22)8-4-3-5-9-21/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,23,25)/t14-/m1/s1