2-[(4-bromophenyl)methyl-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoyl]amino]benzoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoyl]amino]benzoic acid Openeye Name: 2-[(4-bromophenyl)methyl-[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoic acid CAS Name: 2-[(4-bromophenyl)methyl-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[(4-bromophenyl)methyl-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid Traditional Name: 2-[(4-bromobenzyl)-[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoic acid Formula: C26H25BrClNO4 MolecularWeight: 530.838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N(CC2=CC=C(C=C2)Br)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N(CC2=CC=C(C=C2)Br)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H25BrClNO4/c1-16(2)21-13-22(28)17(3)12-24(21)33-15-25(30)29(14-18-8-10-19(27)11-9-18)23-7-5-4-6-20(23)26(31)32/h4-13,16H,14-15H2,1-3H3,(H,31,32)