(2R)-2-[(7-methyl-5-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)methylazaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[(7-methyl-5-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenyl-chromen-6-yl)methylammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenyl-1-benzopyran-6-yl)methylammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenylchromen-6-yl)methylazaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(5-hydroxy-2-keto-7-methyl-4-phenyl-chromen-6-yl)methylammonio]-3-phenyl-propionate Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH2+]C(CC4=CC=CC=C4)C(=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH2+][C@H](CC4=CC=CC=C4)C(=O)[O-])O

InChI

InChI=1S/C26H23NO5/c1-16-12-22-24(19(14-23(28)32-22)18-10-6-3-7-11-18)25(29)20(16)15-27-21(26(30)31)13-17-8-4-2-5-9-17/h2-12,14,21,27,29H,13,15H2,1H3,(H,30,31)/t21-/m1/s1