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

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-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-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C25H25FN2O4 MolecularWeight: 436.475403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O4/c1-2-16-5-3-7-20-21(13-27-23(16)20)22(29)15-32-25(31)18-6-4-12-28(14-18)24(30)17-8-10-19(26)11-9-17/h3,5,7-11,13,18,27H,2,4,6,12,14-15H2,1H3