[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-21(2,3)17-11-9-16(10-12-17)20(25)26-15-19(24)23(14-13-22)18-7-5-4-6-8-18/h4-8,16-17H,9-12,14-15H2,1-3H3