[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-12(16(20)19-15-8-3-2-4-9-15)22-17(21)14-7-5-6-13(10-14)11-18/h5-7,10,12,15H,2-4,8-9H2,1H3,(H,19,20)