ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(7-ethyl-1H-indol-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:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCC(CC3)C(=O)OCC)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCC(CC3)C(=O)OCC)C4=CC=C(C=C4)F

InChI

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