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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-(5-fluoranyl-2-phenyl-1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-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-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-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-phenylpiperazino)ethyl] ester Formula: C29H28FN3O3 MolecularWeight: 485.549323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CCC3=C(NC4=C3C=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C29H28FN3O3/c30-22-11-13-26-25(19-22)24(29(31-26)21-7-3-1-4-8-21)12-14-28(35)36-20-27(34)33-17-15-32(16-18-33)23-9-5-2-6-10-23/h1-11,13,19,31H,12,14-18,20H2