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

Systemtic Name: (2R)-2-[(4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-methyl-butanoate Openeye Name: (2R)-2-[(4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]-3-methyl-butanoate CAS Name: (2R)-2-[(4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[(4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[(4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]-3-methyl-butyrate Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C(C)C)C(=O)[O-])O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H](C(C)C)C(=O)[O-])O

InChI

InChI=1S/C17H21NO5/c1-4-10-7-14(20)23-16-11(10)5-6-13(19)12(16)8-18-15(9(2)3)17(21)22/h5-7,9,15,18-19H,4,8H2,1-3H3,(H,21,22)/t15-/m1/s1