(2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]butanoate

Systemtic Name: (2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-2-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]butanoate Openeye Name: (2R)-4-tert-butoxy-2-[(7-hydroxy-4-oxo-3-phenoxy-chromen-8-yl)methylammonio]-4-oxo-butanoate CAS Name: (2R)-2-[(7-hydroxy-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylammonio]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoate Traditional Name: (2R)-4-tert-butoxy-2-[(7-hydroxy-4-keto-3-phenoxy-chromen-8-yl)methylammonio]-4-keto-butyrate Formula: C24H25NO8 MolecularWeight: 455.4572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO8/c1-24(2,3)33-20(27)11-17(23(29)30)25-12-16-18(26)10-9-15-21(28)19(13-31-22(15)16)32-14-7-5-4-6-8-14/h4-10,13,17,25-26H,11-12H2,1-3H3,(H,29,30)/t17-/m1/s1