[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(cyanomethyl)benzoate

Systemtic Name: [(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(cyanomethyl)benzoate Openeye Name: [(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-(cyanomethyl)benzoate CAS Name: 2-(cyanomethyl)benzoic acid [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(cyanomethyl)benzoate Traditional Name: 2-(cyanomethyl)benzoic acid [(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2CC#N

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2CC#N

InChI

InChI=1S/C18H22N2O3/c1-13(17(21)20-15-8-3-2-4-9-15)23-18(22)16-10-6-5-7-14(16)11-12-19/h5-7,10,13,15H,2-4,8-9,11H2,1H3,(H,20,21)/t13-/m1/s1