4-[2-[2-(3-bromophenyl)carbonyl-4-chloranyl-phenoxy]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[2-(3-bromophenyl)carbonyl-4-chloranyl-phenoxy]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[2-(3-bromobenzoyl)-4-chloro-phenoxy]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[2-[(3-bromophenyl)-oxomethyl]-4-chlorophenoxy]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[2-(3-bromobenzoyl)-4-chlorophenoxy]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[2-(3-bromobenzoyl)-4-chloro-phenoxy]acetyl]amino]-3-methyl-benzoic acid Formula: C23H17BrClNO5 MolecularWeight: 502.74178

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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)Br

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)Br

InChI

InChI=1S/C23H17BrClNO5/c1-13-9-15(23(29)30)5-7-19(13)26-21(27)12-31-20-8-6-17(25)11-18(20)22(28)14-3-2-4-16(24)10-14/h2-11H,12H2,1H3,(H,26,27)(H,29,30)