[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C26H25F3N2O4 MolecularWeight: 486.48291

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H25F3N2O4/c1-2-16-4-3-5-20-21(14-30-23(16)20)22(32)15-35-25(34)18-10-12-31(13-11-18)24(33)17-6-8-19(9-7-17)26(27,28)29/h3-9,14,18,30H,2,10-13,15H2,1H3