ethyl 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(1-ethyl-3-indolyl)-3-(4-fluorophenyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]isonipecotic acid ethyl ester Formula: C27H31FN2O3 MolecularWeight: 450.545043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCC(CC3)C(=O)OCC)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCC(CC3)C(=O)OCC)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN2O3/c1-3-29-18-24(22-7-5-6-8-25(22)29)23(19-9-11-21(28)12-10-19)17-26(31)30-15-13-20(14-16-30)27(32)33-4-2/h5-12,18,20,23H,3-4,13-17H2,1-2H3