ethyl 4-[(8-azido-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl]-2-fluoranyl-benzoate

Systemtic Name: ethyl 4-[(8-azido-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[(8-azido-2,2,4,4-tetramethyl-chroman-6-yl)carbamoyl]-2-fluoro-benzoate CAS Name: 4-[[(8-azido-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-oxomethyl]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(8-azido-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl]-2-fluorobenzoate Traditional Name: 4-[(8-azido-2,2,4,4-tetramethyl-chroman-6-yl)carbamoyl]-2-fluoro-benzoic acid ethyl ester Formula: C23H25FN4O4 MolecularWeight: 440.467403

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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(CC(O3)(C)C)(C)C)N=[N+]=[N-])F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC(=C3C(=C2)C(CC(O3)(C)C)(C)C)N=[N+]=[N-])F

InChI

InChI=1S/C23H25FN4O4/c1-6-31-21(30)15-8-7-13(9-17(15)24)20(29)26-14-10-16-19(18(11-14)27-28-25)32-23(4,5)12-22(16,2)3/h7-11H,6,12H2,1-5H3,(H,26,29)