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

Systemtic Name: (2R)-2-[[3-(4-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylazaniumyl]-4-methyl-pentanoate Openeye Name: (2R)-2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methylammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methylammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxochromen-8-yl]methylazaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[[3-(4-fluorophenoxy)-7-hydroxy-4-keto-chromen-8-yl]methylammonio]-4-methyl-valerate Formula: C22H22FNO6 MolecularWeight: 415.411583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)F)O

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H22FNO6/c1-12(2)9-17(22(27)28)24-10-16-18(25)8-7-15-20(26)19(11-29-21(15)16)30-14-5-3-13(23)4-6-14/h3-8,11-12,17,24-25H,9-10H2,1-2H3,(H,27,28)/t17-/m1/s1