4-[[(5-bromanyl-2-oxidanyl-phenyl)-(4-propan-2-ylphenyl)methyl]amino]benzoic acid

Systemtic Name: 4-[[(5-bromanyl-2-oxidanyl-phenyl)-(4-propan-2-ylphenyl)methyl]amino]benzoic acid Openeye Name: 4-[[(5-bromo-2-hydroxy-phenyl)-(4-isopropylphenyl)methyl]amino]benzoic acid CAS Name: 4-[[(5-bromo-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]amino]benzoic acid IUPAC Name: 4-[[(5-bromo-2-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]amino]benzoic acid Traditional Name: 4-[[(5-bromo-2-hydroxy-phenyl)-p-cumenyl-methyl]amino]benzoic acid Formula: C23H22BrNO3 MolecularWeight: 440.32968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H22BrNO3/c1-14(2)15-3-5-16(6-4-15)22(20-13-18(24)9-12-21(20)26)25-19-10-7-17(8-11-19)23(27)28/h3-14,22,25-26H,1-2H3,(H,27,28)