4-[[1-[2-[5-chloranyl-2-fluoranyl-4-[(1-methylindol-3-yl)carbonylamino]phenyl]ethanoyl]-3,3-bis(fluoranyl)pyrrolidin-1-ium-1-yl]methoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-[2-[5-chloranyl-2-fluoranyl-4-[(1-methylindol-3-yl)carbonylamino]phenyl]ethanoyl]-3,3-bis(fluoranyl)pyrrolidin-1-ium-1-yl]methoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-[2-[5-chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]-3,3-difluoro-pyrrolidin-1-ium-1-yl]methoxy]cyclohexanecarboxylic acid CAS Name: 4-[[1-[2-[5-chloro-2-fluoro-4-[[(1-methyl-3-indolyl)-oxomethyl]amino]phenyl]-1-oxoethyl]-3,3-difluoro-1-pyrrolidin-1-iumyl]methoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-[2-[5-chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]-3,3-difluoropyrrolidin-1-ium-1-yl]methoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-[2-[5-chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]-3,3-difluoro-pyrrolidin-1-ium-1-yl]methoxy]cyclohexanecarboxylic acid Formula: C30H32ClF3N3O5+ MolecularWeight: 607.04039

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)[N+]4(CCC(C4)(F)F)COC5CCC(CC5)C(=O)O)Cl

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)NC3=C(C=C(C(=C3)F)CC(=O)[N+]4(CCC(C4)(F)F)COC5CCC(CC5)C(=O)O)Cl

InChI

InChI=1S/C30H31ClF3N3O5/c1-36-15-22(21-4-2-3-5-26(21)36)28(39)35-25-14-24(32)19(12-23(25)31)13-27(38)37(11-10-30(33,34)16-37)17-42-20-8-6-18(7-9-20)29(40)41/h2-5,12,14-15,18,20H,6-11,13,16-17H2,1H3,(H-,35,39,40,41)/p+1