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

Systemtic Name: 2-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: 2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-chromen-8-yl)methylammonio]-3-phenyl-propanoate CAS Name: 2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylammonio]-3-phenylpropanoate IUPAC Name: 2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]-3-phenylpropanoate Traditional Name: 2-[(7-hydroxy-4-keto-2-methyl-3-phenoxy-chromen-8-yl)methylammonio]-3-phenyl-propionate Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C26H23NO6/c1-16-24(33-18-10-6-3-7-11-18)23(29)19-12-13-22(28)20(25(19)32-16)15-27-21(26(30)31)14-17-8-4-2-5-9-17/h2-13,21,27-28H,14-15H2,1H3,(H,30,31)