4-[[3-(3-bromophenyl)-2-fluoranyl-4-methoxy-5,6-dimethyl-phenyl]methyl]benzoic acid

Systemtic Name: 4-[[3-(3-bromophenyl)-2-fluoranyl-4-methoxy-5,6-dimethyl-phenyl]methyl]benzoic acid Openeye Name: 4-[[3-(3-bromophenyl)-2-fluoro-4-methoxy-5,6-dimethyl-phenyl]methyl]benzoic acid CAS Name: 4-[[3-(3-bromophenyl)-2-fluoro-4-methoxy-5,6-dimethylphenyl]methyl]benzoic acid IUPAC Name: 4-[[3-(3-bromophenyl)-2-fluoro-4-methoxy-5,6-dimethylphenyl]methyl]benzoic acid Traditional Name: 4-[3-(3-bromophenyl)-2-fluoro-4-methoxy-5,6-dimethyl-benzyl]benzoic acid Formula: C23H20BrFO3 MolecularWeight: 443.305503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CC=C(C=C2)C(=O)O)F)C3=CC(=CC=C3)Br)OC)C

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CC=C(C=C2)C(=O)O)F)C3=CC(=CC=C3)Br)OC)C

InChI

InChI=1S/C23H20BrFO3/c1-13-14(2)22(28-3)20(17-5-4-6-18(24)12-17)21(25)19(13)11-15-7-9-16(10-8-15)23(26)27/h4-10,12H,11H2,1-3H3,(H,26,27)