[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-3-benzofuranyl)acetic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)O[C@H](C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H24N2O4/c1-14-6-7-17-16(12-26-18(17)10-14)11-19(24)27-15(2)20(25)23-21(13-22)8-4-3-5-9-21/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H,23,25)/t15-/m1/s1