4-[(4-bromanyl-5,5,8,8-tetramethyl-3-oxidanyl-6,7-dihydronaphthalen-2-yl)carbonylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(4-bromanyl-5,5,8,8-tetramethyl-3-oxidanyl-6,7-dihydronaphthalen-2-yl)carbonylamino]-2-fluoranyl-benzoic acid Openeye Name: 4-[(8-bromo-7-hydroxy-1,1,4,4-tetramethyl-tetralin-6-carbonyl)amino]-2-fluoro-benzoic acid CAS Name: 4-[[(4-bromo-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-oxomethyl]amino]-2-fluorobenzoic acid IUPAC Name: 4-[(4-bromo-3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]-2-fluorobenzoic acid Traditional Name: 4-[(8-bromo-7-hydroxy-1,1,4,4-tetramethyl-tetralin-6-carbonyl)amino]-2-fluoro-benzoic acid Formula: C22H23BrFNO4 MolecularWeight: 464.324723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=C(C(=C2Br)O)C(=O)NC3=CC(=C(C=C3)C(=O)O)F)(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=C(C(=C2Br)O)C(=O)NC3=CC(=C(C=C3)C(=O)O)F)(C)C)C

InChI

InChI=1S/C22H23BrFNO4/c1-21(2)7-8-22(3,4)16-14(21)10-13(18(26)17(16)23)19(27)25-11-5-6-12(20(28)29)15(24)9-11/h5-6,9-10,26H,7-8H2,1-4H3,(H,25,27)(H,28,29)