4-[(8-bromanyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)carbamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(8-bromanyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)carbamoyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[(8-bromo-4,4-dimethyl-chroman-6-yl)carbamoyl]-2-fluoro-benzoic acid CAS Name: 4-[[(8-bromo-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-oxomethyl]-2-fluorobenzoic acid IUPAC Name: 4-[(8-bromo-4,4-dimethyl-2,3-dihydrochromen-6-yl)carbamoyl]-2-fluorobenzoic acid Traditional Name: 4-[(8-bromo-4,4-dimethyl-chroman-6-yl)carbamoyl]-2-fluoro-benzoic acid Formula: C19H17BrFNO4 MolecularWeight: 422.244983

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOC2=C(C=C(C=C21)NC(=O)C3=CC(=C(C=C3)C(=O)O)F)Br)C

Isomeric SMILES

CC1(CCOC2=C(C=C(C=C21)NC(=O)C3=CC(=C(C=C3)C(=O)O)F)Br)C

InChI

InChI=1S/C19H17BrFNO4/c1-19(2)5-6-26-16-13(19)8-11(9-14(16)20)22-17(23)10-3-4-12(18(24)25)15(21)7-10/h3-4,7-9H,5-6H2,1-2H3,(H,22,23)(H,24,25)