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

Systemtic Name: ethyl 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(1-ethyl-3-indolyl)-3-(4-fluorophenyl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanoyl]nipecotic 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)N3CCCC(C3)C(=O)OCC)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCCC(C3)C(=O)OCC)C4=CC=C(C=C4)F

InChI

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