(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C22H19BrFNO5 MolecularWeight: 476.292363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)Br)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)Br)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H19BrFNO5/c1-12(2)20(25-21(27)16-5-3-4-6-17(16)24)22(28)29-11-13-9-19(26)30-18-10-14(23)7-8-15(13)18/h3-10,12,20H,11H2,1-2H3,(H,25,27)