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

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-12(25-17(23)14-7-5-6-13(10-14)11-19)16(22)21-18(24)20-15-8-3-2-4-9-15/h5-7,10,12,15H,2-4,8-9H2,1H3,(H2,20,21,22,24)