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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](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/c1-3-12(2)19(22(27)28)24-10-16-17(25)9-8-15-20(26)18(11-29-21(15)16)30-14-6-4-13(23)5-7-14/h4-9,11-12,19,24-25H,3,10H2,1-2H3,(H,27,28)/t12-,19+/m0/s1