[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate CAS Name: 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate Traditional Name: 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propionic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C28H27FN4O3 MolecularWeight: 486.537383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C28H27FN4O3/c29-21-9-11-24-23(18-21)22(28(31-24)20-6-2-1-3-7-20)10-12-27(35)36-19-26(34)33-16-14-32(15-17-33)25-8-4-5-13-30-25/h1-9,11,13,18,31H,10,12,14-17,19H2