4-[1-fluoranyl-3-[4-[(2-iodanylphenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid

Systemtic Name: 4-[1-fluoranyl-3-[4-[(2-iodanylphenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid Openeye Name: 4-[1-fluoro-3-[4-[(2-iodophenyl)carbamoylamino]-3-methoxy-phenyl]-2-oxo-1-pyrrolidin-1-yl-propoxy]benzoic acid CAS Name: 4-[1-fluoro-3-[4-[[(2-iodoanilino)-oxomethyl]amino]-3-methoxyphenyl]-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 4-[1-fluoro-3-[4-[(2-iodophenyl)carbamoylamino]-3-methoxyphenyl]-2-oxo-1-pyrrolidin-1-ylpropoxy]benzoic acid Traditional Name: 4-[1-fluoro-3-[4-[(2-iodophenyl)carbamoylamino]-3-methoxy-phenyl]-2-keto-1-pyrrolidino-propoxy]benzoic acid Formula: C28H27FIN3O6 MolecularWeight: 647.433353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)C(N2CCCC2)(OC3=CC=C(C=C3)C(=O)O)F)NC(=O)NC4=CC=CC=C4I

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)C(N2CCCC2)(OC3=CC=C(C=C3)C(=O)O)F)NC(=O)NC4=CC=CC=C4I

InChI

InChI=1S/C28H27FIN3O6/c1-38-24-16-18(8-13-23(24)32-27(37)31-22-7-3-2-6-21(22)30)17-25(34)28(29,33-14-4-5-15-33)39-20-11-9-19(10-12-20)26(35)36/h2-3,6-13,16H,4-5,14-15,17H2,1H3,(H,35,36)(H2,31,32,37)