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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 6-chloro-4-oxo-chromene-2-carboxylate CAS Name: 6-chloro-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate Traditional Name: 6-chloro-4-keto-chromene-2-carboxylic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-13(19(26)24(2)21(12-23)8-4-3-5-9-21)28-20(27)18-11-16(25)15-10-14(22)6-7-17(15)29-18/h6-7,10-11,13H,3-5,8-9H2,1-2H3/t13-/m1/s1