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

Systemtic Name: (2R)-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]-3-phenyl-propionate Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H](CC3=CC=CC=C3)C(=O)[O-])O

InChI

InChI=1S/C20H19NO5/c1-12-9-18(23)26-19-14(12)7-8-17(22)15(19)11-21-16(20(24)25)10-13-5-3-2-4-6-13/h2-9,16,21-22H,10-11H2,1H3,(H,24,25)/t16-/m1/s1