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

Systemtic Name: 4-[[8-bromanyl-2,2-dimethyl-4-(4-methylphenyl)chromen-6-yl]carbonylamino]-2-fluoranyl-benzoic acid Openeye Name: 4-[[8-bromo-2,2-dimethyl-4-(p-tolyl)chromene-6-carbonyl]amino]-2-fluoro-benzoic acid CAS Name: 4-[[[8-bromo-2,2-dimethyl-4-(4-methylphenyl)-1-benzopyran-6-yl]-oxomethyl]amino]-2-fluorobenzoic acid IUPAC Name: 4-[[8-bromo-2,2-dimethyl-4-(4-methylphenyl)chromene-6-carbonyl]amino]-2-fluorobenzoic acid Traditional Name: 4-[[8-bromo-2,2-dimethyl-4-(p-tolyl)chromene-6-carbonyl]amino]-2-fluoro-benzoic acid Formula: C26H21BrFNO4 MolecularWeight: 510.351643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(OC3=C(C=C(C=C23)C(=O)NC4=CC(=C(C=C4)C(=O)O)F)Br)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(OC3=C(C=C(C=C23)C(=O)NC4=CC(=C(C=C4)C(=O)O)F)Br)(C)C

InChI

InChI=1S/C26H21BrFNO4/c1-14-4-6-15(7-5-14)20-13-26(2,3)33-23-19(20)10-16(11-21(23)27)24(30)29-17-8-9-18(25(31)32)22(28)12-17/h4-13H,1-3H3,(H,29,30)(H,31,32)