[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)cyclohexane-1-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)cyclohexane-1-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 1-benzylcyclohexanecarboxylate CAS Name: 1-(phenylmethyl)-1-cyclohexanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-benzylcyclohexane-1-carboxylate Traditional Name: 1-benzylcyclohexanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=CC=CC=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(CC2=CC=CC=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O3/c25-16-17-26(21-12-6-2-7-13-21)22(27)19-29-23(28)24(14-8-3-9-15-24)18-20-10-4-1-5-11-20/h1-2,4-7,10-13H,3,8-9,14-15,17-19H2