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

Systemtic Name: 2-[(4-bromophenyl)methyl-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)carbonyl-amino]benzoic acid Openeye Name: 2-[(4-bromophenyl)methyl-(4-chloro-2-isopropyl-5-methyl-phenoxy)carbonyl-amino]benzoic acid CAS Name: 2-[(4-bromophenyl)methyl-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(4-bromophenyl)methyl-(4-chloro-5-methyl-2-propan-2-ylphenoxy)carbonylamino]benzoic acid Traditional Name: 2-[(4-bromobenzyl)-(4-chloro-2-isopropyl-5-methyl-phenoxy)carbonyl-amino]benzoic acid Formula: C25H23BrClNO4 MolecularWeight: 516.81142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrClNO4/c1-15(2)20-13-21(27)16(3)12-23(20)32-25(31)28(14-17-8-10-18(26)11-9-17)22-7-5-4-6-19(22)24(29)30/h4-13,15H,14H2,1-3H3,(H,29,30)