2-[[3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylazaniumyl]-4-methyl-pentanoate

Systemtic Name: 2-[[3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylazaniumyl]-4-methyl-pentanoate Openeye Name: 2-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methylammonio]-4-methyl-pentanoate CAS Name: 2-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methylammonio]-4-methylpentanoate IUPAC Name: 2-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methylazaniumyl]-4-methylpentanoate Traditional Name: 2-[[3-(4-fluorophenyl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methylammonio]-4-methyl-valerate Formula: C23H24FNO5 MolecularWeight: 413.438763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]C(CC(C)C)C(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]C(CC(C)C)C(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C23H24FNO5/c1-12(2)10-18(23(28)29)25-11-17-19(26)9-8-16-21(27)20(13(3)30-22(16)17)14-4-6-15(24)7-5-14/h4-9,12,18,25-26H,10-11H2,1-3H3,(H,28,29)