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

Systemtic Name: 4-[[3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylazaniumyl]butanoate Openeye Name: 4-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methylammonio]butanoate CAS Name: 4-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methylammonio]butanoate IUPAC Name: 4-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methylazaniumyl]butanoate Traditional Name: 4-[[3-(4-fluorophenyl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methylammonio]butyrate Formula: C21H20FNO5 MolecularWeight: 385.385603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FNO5/c1-12-19(13-4-6-14(22)7-5-13)20(27)15-8-9-17(24)16(21(15)28-12)11-23-10-2-3-18(25)26/h4-9,23-24H,2-3,10-11H2,1H3,(H,25,26)