4-[2-[3-bromanyl-5-chloranyl-2-[(2-methylphenyl)methoxy]phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-[3-bromanyl-5-chloranyl-2-[(2-methylphenyl)methoxy]phenyl]ethyl]benzoic acid Openeye Name: 4-[2-[3-bromo-5-chloro-2-(o-tolylmethoxy)phenyl]ethyl]benzoic acid CAS Name: 4-[2-[3-bromo-5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-5-chloro-2-[(2-methylphenyl)methoxy]phenyl]ethyl]benzoic acid Traditional Name: 4-[2-[3-bromo-5-chloro-2-(2-methylbenzyl)oxy-phenyl]ethyl]benzoic acid Formula: C23H20BrClO3 MolecularWeight: 459.7601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C=C(C=C2CCC3=CC=C(C=C3)C(=O)O)Cl)Br

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2CCC3=CC=C(C=C3)C(=O)O)Cl)Br

InChI

InChI=1S/C23H20BrClO3/c1-15-4-2-3-5-19(15)14-28-22-18(12-20(25)13-21(22)24)11-8-16-6-9-17(10-7-16)23(26)27/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,26,27)