4-[3-[2,3-bis(fluoranyl)-4-[(2-methylphenyl)carbamoylamino]phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid

Systemtic Name: 4-[3-[2,3-bis(fluoranyl)-4-[(2-methylphenyl)carbamoylamino]phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid Openeye Name: 4-[3-[2,3-difluoro-4-(o-tolylcarbamoylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]benzoic acid CAS Name: 4-[3-[2,3-difluoro-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 4-[3-[2,3-difluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]benzoic acid Traditional Name: 4-[3-[2,3-difluoro-4-(o-tolylcarbamoylamino)phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]benzoic acid Formula: C28H26F3N3O5 MolecularWeight: 541.51835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=C(C(=C(C=C2)CC(=O)C(N3CCCC3)(OC4=CC=C(C=C4)C(=O)O)F)F)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=C(C(=C(C=C2)CC(=O)C(N3CCCC3)(OC4=CC=C(C=C4)C(=O)O)F)F)F

InChI

InChI=1S/C28H26F3N3O5/c1-17-6-2-3-7-21(17)32-27(38)33-22-13-10-19(24(29)25(22)30)16-23(35)28(31,34-14-4-5-15-34)39-20-11-8-18(9-12-20)26(36)37/h2-3,6-13H,4-5,14-16H2,1H3,(H,36,37)(H2,32,33,38)