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

Systemtic Name: 4-[2-[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[4-bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[4-bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]acetyl]amino]-3-methyl-benzoic acid Formula: C23H15BrClFN2O4 MolecularWeight: 517.731603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC2=C(C(=C(C=C2)Br)OC3=CC(=CC(=C3)C#N)Cl)F

InChI

InChI=1S/C23H15BrClFN2O4/c1-12-6-15(23(30)31)3-5-19(12)28-20(29)9-14-2-4-18(24)22(21(14)26)32-17-8-13(11-27)7-16(25)10-17/h2-8,10H,9H2,1H3,(H,28,29)(H,30,31)