4-[4-[3-chloranyl-4-[(1-methylindazol-1-ium-1-yl)carbonylamino]phenyl]-4-fluoranyl-1-methoxy-3-oxidanylidene-2-pyrrolidin-1-yl-butan-2-yl]oxycyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-[3-chloranyl-4-[(1-methylindazol-1-ium-1-yl)carbonylamino]phenyl]-4-fluoranyl-1-methoxy-3-oxidanylidene-2-pyrrolidin-1-yl-butan-2-yl]oxycyclohexane-1-carboxylic acid Openeye Name: 4-[3-[3-chloro-4-[(1-methylindazol-1-ium-1-carbonyl)amino]phenyl]-3-fluoro-1-(methoxymethyl)-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[4-[3-chloro-4-[[(1-methyl-1-indazol-1-iumyl)-oxomethyl]amino]phenyl]-4-fluoro-1-methoxy-3-oxo-2-(1-pyrrolidinyl)butan-2-yl]oxy-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-[3-chloro-4-[(1-methylindazol-1-ium-1-carbonyl)amino]phenyl]-4-fluoro-1-methoxy-3-oxo-2-pyrrolidin-1-ylbutan-2-yl]oxycyclohexane-1-carboxylic acid Traditional Name: 4-[3-[3-chloro-4-[(1-methylindazol-1-ium-1-carbonyl)amino]phenyl]-3-fluoro-2-keto-1-(methoxymethyl)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C31H37ClFN4O6+ MolecularWeight: 616.100083

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C=N1)C(=O)NC3=C(C=C(C=C3)C(C(=O)C(COC)(N4CCCC4)OC5CCC(CC5)C(=O)O)F)Cl

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C=N1)C(=O)NC3=C(C=C(C=C3)C(C(=O)C(COC)(N4CCCC4)OC5CCC(CC5)C(=O)O)F)Cl

InChI

InChI=1S/C31H36ClFN4O6/c1-37(26-8-4-3-7-22(26)18-34-37)30(41)35-25-14-11-21(17-24(25)32)27(33)28(38)31(19-42-2,36-15-5-6-16-36)43-23-12-9-20(10-13-23)29(39)40/h3-4,7-8,11,14,17-18,20,23,27H,5-6,9-10,12-13,15-16,19H2,1-2H3,(H-,35,39,40,41)/p+1