4-dibenzofuran-2-yl-2-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-dibenzofuran-2-yl-2-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-dibenzofuran-2-yl-2-[(3,4-dimethoxybenzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-(2-dibenzofuranyl)-2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-dibenzofuran-2-yl-2-[(3,4-dimethoxybenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-dibenzofuran-2-yl-4-keto-2-(veratroylamino)butyric acid Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C43)C(=O)O)OC

InChI

InChI=1S/C25H21NO7/c1-31-22-10-8-15(12-23(22)32-2)24(28)26-18(25(29)30)13-19(27)14-7-9-21-17(11-14)16-5-3-4-6-20(16)33-21/h3-12,18H,13H2,1-2H3,(H,26,28)(H,29,30)