[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C20H25ClN2O3/c1-20(2,3)15-7-4-13(5-8-15)19(25)26-12-18(24)23-17-10-16(21)9-6-14(17)11-22/h6,9-10,13,15H,4-5,7-8,12H2,1-3H3,(H,23,24)