4-[2-[4-chloranyl-2-(3-cyclopropyl-5-fluoranyl-phenyl)carbonyl-phenoxy]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[4-chloranyl-2-(3-cyclopropyl-5-fluoranyl-phenyl)carbonyl-phenoxy]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[4-chloro-2-(3-cyclopropyl-5-fluoro-benzoyl)phenoxy]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[4-chloro-2-[(3-cyclopropyl-5-fluorophenyl)-oxomethyl]phenoxy]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[4-chloro-2-(3-cyclopropyl-5-fluorobenzoyl)phenoxy]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[4-chloro-2-(3-cyclopropyl-5-fluoro-benzoyl)phenoxy]acetyl]amino]-3-methyl-benzoic acid Formula: C26H21ClFNO5 MolecularWeight: 481.900043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C4CC4

InChI

InChI=1S/C26H21ClFNO5/c1-14-8-16(26(32)33)4-6-22(14)29-24(30)13-34-23-7-5-19(27)12-21(23)25(31)18-9-17(15-2-3-15)10-20(28)11-18/h4-12,15H,2-3,13H2,1H3,(H,29,30)(H,32,33)