2-[4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-(1H-indol-3-ylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-(1H-indol-3-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-(1H-indol-3-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazino]acetic acid Formula: C24H21F6N3O3 MolecularWeight: 513.432259

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC(=O)O)CC2=CNC3=CC=CC=C32)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(C(CN1CC(=O)O)CC2=CNC3=CC=CC=C32)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H21F6N3O3/c25-23(26,27)16-7-14(8-17(10-16)24(28,29)30)22(36)33-6-5-32(13-21(34)35)12-18(33)9-15-11-31-20-4-2-1-3-19(15)20/h1-4,7-8,10-11,18,31H,5-6,9,12-13H2,(H,34,35)