[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanylcyclohexane-1-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1-hydroxycyclohexanecarboxylate CAS Name: 1-hydroxy-1-cyclohexanecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate Traditional Name: 1-hydroxycyclohexanecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)O

Isomeric SMILES

C1CCC(CC1)(C(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)O

InChI

InChI=1S/C18H22N2O4/c19-12-7-13-20(15-8-3-1-4-9-15)16(21)14-24-17(22)18(23)10-5-2-6-11-18/h1,3-4,8-9,23H,2,5-7,10-11,13-14H2