4-[4-[2-[(5-bromanyl-2,2-dimethyl-3H-1-benzofuran-7-yl)carbonylamino]ethyl]phenyl]benzoic acid

Systemtic Name: 4-[4-[2-[(5-bromanyl-2,2-dimethyl-3H-1-benzofuran-7-yl)carbonylamino]ethyl]phenyl]benzoic acid Openeye Name: 4-[4-[2-[(5-bromo-2,2-dimethyl-3H-benzofuran-7-carbonyl)amino]ethyl]phenyl]benzoic acid CAS Name: 4-[4-[2-[[(5-bromo-2,2-dimethyl-3H-benzofuran-7-yl)-oxomethyl]amino]ethyl]phenyl]benzoic acid IUPAC Name: 4-[4-[2-[(5-bromo-2,2-dimethyl-3H-1-benzofuran-7-carbonyl)amino]ethyl]phenyl]benzoic acid Traditional Name: 4-[4-[2-[(5-bromo-2,2-dimethyl-coumaran-7-carbonyl)amino]ethyl]phenyl]benzoic acid Formula: C26H24BrNO4 MolecularWeight: 494.37706

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC(=C2)Br)C(=O)NCCC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC(=C2)Br)C(=O)NCCC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C26H24BrNO4/c1-26(2)15-20-13-21(27)14-22(23(20)32-26)24(29)28-12-11-16-3-5-17(6-4-16)18-7-9-19(10-8-18)25(30)31/h3-10,13-14H,11-12,15H2,1-2H3,(H,28,29)(H,30,31)