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

Systemtic Name: (2R)-2-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methylammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylazaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methylammonio]-3-phenyl-propionate Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])[NH2+]CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])[NH2+]CC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O

InChI

InChI=1S/C25H21NO5/c27-22-12-11-18-19(17-9-5-2-6-10-17)14-23(28)31-24(18)20(22)15-26-21(25(29)30)13-16-7-3-1-4-8-16/h1-12,14,21,26-27H,13,15H2,(H,29,30)/t21-/m1/s1