4-[(8-bromanyl-2,2-dimethyl-4-phenyl-chromen-6-yl)carbonylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(8-bromanyl-2,2-dimethyl-4-phenyl-chromen-6-yl)carbonylamino]-2-fluoranyl-benzoic acid Openeye Name: 4-[(8-bromo-2,2-dimethyl-4-phenyl-chromene-6-carbonyl)amino]-2-fluoro-benzoic acid CAS Name: 4-[[(8-bromo-2,2-dimethyl-4-phenyl-1-benzopyran-6-yl)-oxomethyl]amino]-2-fluorobenzoic acid IUPAC Name: 4-[(8-bromo-2,2-dimethyl-4-phenylchromene-6-carbonyl)amino]-2-fluorobenzoic acid Traditional Name: 4-[(8-bromo-2,2-dimethyl-4-phenyl-chromene-6-carbonyl)amino]-2-fluoro-benzoic acid Formula: C25H19BrFNO4 MolecularWeight: 496.325063

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC(=CC(=C2O1)Br)C(=O)NC3=CC(=C(C=C3)C(=O)O)F)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=CC(=CC(=C2O1)Br)C(=O)NC3=CC(=C(C=C3)C(=O)O)F)C4=CC=CC=C4)C

InChI

InChI=1S/C25H19BrFNO4/c1-25(2)13-19(14-6-4-3-5-7-14)18-10-15(11-20(26)22(18)32-25)23(29)28-16-8-9-17(24(30)31)21(27)12-16/h3-13H,1-2H3,(H,28,29)(H,30,31)