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

Systemtic Name: (2R)-2-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(7-hydroxy-4-oxo-3-phenoxy-chromen-8-yl)methylammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[(7-hydroxy-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[(7-hydroxy-4-keto-3-phenoxy-chromen-8-yl)methylammonio]-3-phenyl-propionate Formula: C25H21NO6 MolecularWeight: 431.43734

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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=C(C3=O)OC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])[NH2+]CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4)O

InChI

InChI=1S/C25H21NO6/c27-21-12-11-18-23(28)22(32-17-9-5-2-6-10-17)15-31-24(18)19(21)14-26-20(25(29)30)13-16-7-3-1-4-8-16/h1-12,15,20,26-27H,13-14H2,(H,29,30)/t20-/m1/s1