[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclohexylethanoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-cyclohexylethanoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-cyclohexylacetate CAS Name: 2-cyclohexylacetic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate Traditional Name: 2-cyclohexylacetic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CC2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CC2CCCCC2

InChI

InChI=1S/C18H22N2O3/c1-13(23-17(21)11-14-6-3-2-4-7-14)18(22)20-16-9-5-8-15(10-16)12-19/h5,8-10,13-14H,2-4,6-7,11H2,1H3,(H,20,22)/t13-/m0/s1