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

Systemtic Name: ethyl 4-[(8-bromanyl-4,4-dimethyl-2,3-dihydrochromen-6-yl)carbamoyl]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[(8-bromo-4,4-dimethyl-chroman-6-yl)carbamoyl]-2-fluoro-benzoate CAS Name: 4-[[(8-bromo-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-oxomethyl]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(8-bromo-4,4-dimethyl-2,3-dihydrochromen-6-yl)carbamoyl]-2-fluorobenzoate Traditional Name: 4-[(8-bromo-4,4-dimethyl-chroman-6-yl)carbamoyl]-2-fluoro-benzoic acid ethyl ester Formula: C21H21BrFNO4 MolecularWeight: 450.298143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC(=C3C(=C2)C(CCO3)(C)C)Br)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC(=C3C(=C2)C(CCO3)(C)C)Br)F

InChI

InChI=1S/C21H21BrFNO4/c1-4-27-20(26)14-6-5-12(9-17(14)23)19(25)24-13-10-15-18(16(22)11-13)28-8-7-21(15,2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,24,25)