3-(3,4-dimethoxyphenyl)-8-[(2-methylpropylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methylpropylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(isobutylammonio)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methylpropylammonio)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(2-methylpropylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(isobutylammonio)methyl]-2-keto-chromen-7-olate Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)[O-]

Isomeric SMILES

CC(C)C[NH2+]CC1=C(C=CC2=C1OC(=O)C(=C2)C3=CC(=C(C=C3)OC)OC)[O-]

InChI

InChI=1S/C22H25NO5/c1-13(2)11-23-12-17-18(24)7-5-15-9-16(22(25)28-21(15)17)14-6-8-19(26-3)20(10-14)27-4/h5-10,13,23-24H,11-12H2,1-4H3