[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H30ClNO3 MolecularWeight: 379.9208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H30ClNO3/c1-21(2,3)17-8-6-16(7-9-17)20(25)26-14-19(24)23-13-12-15-4-10-18(22)11-5-15/h4-5,10-11,16-17H,6-9,12-14H2,1-3H3,(H,23,24)