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

Systemtic Name: (2R,3S)-3-methyl-2-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R,3S)-2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-chromen-8-yl)methylammonio]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylammonio]-3-methylpentanoate IUPAC Name: (2R,3S)-2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(7-hydroxy-4-keto-2-methyl-3-phenoxy-chromen-8-yl)methylammonio]-3-methyl-valerate Formula: C23H25NO6 MolecularWeight: 411.4477

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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=CC=C3)C)O

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6/c1-4-13(2)19(23(27)28)24-12-17-18(25)11-10-16-20(26)21(14(3)29-22(16)17)30-15-8-6-5-7-9-15/h5-11,13,19,24-25H,4,12H2,1-3H3,(H,27,28)/t13-,19+/m0/s1