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

Systemtic Name: (2R)-3-methyl-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]butanoate Openeye Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]-3-methyl-butanoate CAS Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]-3-methyl-butyrate Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C(C)C)C(=O)[O-])O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H](C(C)C)C(=O)[O-])O

InChI

InChI=1S/C16H19NO5/c1-8(2)14(16(20)21)17-7-11-12(18)5-4-10-9(3)6-13(19)22-15(10)11/h4-6,8,14,17-18H,7H2,1-3H3,(H,20,21)/t14-/m1/s1