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

Systemtic Name: (2R)-3-methyl-2-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methylazaniumyl]butanoate Openeye Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylammonio]-3-methyl-butanoate CAS Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methylammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methylammonio]-3-methyl-butyrate Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

InChI

InChI=1S/C21H21NO5/c1-12(2)19(21(25)26)22-11-16-17(23)9-8-14-15(10-18(24)27-20(14)16)13-6-4-3-5-7-13/h3-10,12,19,22-23H,11H2,1-2H3,(H,25,26)/t19-/m1/s1