[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H28FNO3 MolecularWeight: 349.439623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H28FNO3/c1-20(2,3)16-8-6-15(7-9-16)19(24)25-13-18(23)22-12-14-4-10-17(21)11-5-14/h4-5,10-11,15-16H,6-9,12-13H2,1-3H3,(H,22,23)