4-[[1-[2-[4-[(2-bromophenyl)carbamoylamino]-3-methyl-phenyl]ethanoyl]-2-fluoranyl-pyrrolidin-1-ium-1-yl]methoxy]benzoic acid

Systemtic Name: 4-[[1-[2-[4-[(2-bromophenyl)carbamoylamino]-3-methyl-phenyl]ethanoyl]-2-fluoranyl-pyrrolidin-1-ium-1-yl]methoxy]benzoic acid Openeye Name: 4-[[1-[2-[4-[(2-bromophenyl)carbamoylamino]-3-methyl-phenyl]acetyl]-2-fluoro-pyrrolidin-1-ium-1-yl]methoxy]benzoic acid CAS Name: 4-[[1-[2-[4-[[(2-bromoanilino)-oxomethyl]amino]-3-methylphenyl]-1-oxoethyl]-2-fluoro-1-pyrrolidin-1-iumyl]methoxy]benzoic acid IUPAC Name: 4-[[1-[2-[4-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]acetyl]-2-fluoropyrrolidin-1-ium-1-yl]methoxy]benzoic acid Traditional Name: 4-[[1-[2-[4-[(2-bromophenyl)carbamoylamino]-3-methyl-phenyl]acetyl]-2-fluoro-pyrrolidin-1-ium-1-yl]methoxy]benzoic acid Formula: C28H28BrFN3O5+ MolecularWeight: 585.441423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)[N+]2(CCCC2F)COC3=CC=C(C=C3)C(=O)O)NC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)[N+]2(CCCC2F)COC3=CC=C(C=C3)C(=O)O)NC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C28H27BrFN3O5/c1-18-15-19(8-13-23(18)31-28(37)32-24-6-3-2-5-22(24)29)16-26(34)33(14-4-7-25(33)30)17-38-21-11-9-20(10-12-21)27(35)36/h2-3,5-6,8-13,15,25H,4,7,14,16-17H2,1H3,(H2-,31,32,35,36,37)/p+1