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

Systemtic Name: 2-[(4-bromophenyl)methyl-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]amino]benzoic acid Openeye Name: 2-[(4-bromophenyl)methyl-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoic acid CAS Name: 2-[(4-bromophenyl)methyl-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[(4-bromophenyl)methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid Traditional Name: 2-[(4-bromobenzyl)-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoic acid Formula: C26H26BrNO4 MolecularWeight: 496.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N(CC2=CC=C(C=C2)Br)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N(CC2=CC=C(C=C2)Br)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H26BrNO4/c1-17(2)21-13-8-18(3)14-24(21)32-16-25(29)28(15-19-9-11-20(27)12-10-19)23-7-5-4-6-22(23)26(30)31/h4-14,17H,15-16H2,1-3H3,(H,30,31)