4-[(3,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-(oxolan-2-yl)butanoic acid

Systemtic Name: 4-[(3,4-dimethoxyphenyl)amino]-4-oxidanylidene-2-(oxolan-2-yl)butanoic acid Openeye Name: 4-(3,4-dimethoxyanilino)-4-oxo-2-tetrahydrofuran-2-yl-butanoic acid CAS Name: 4-(3,4-dimethoxyanilino)-4-oxo-2-(2-oxolanyl)butanoic acid IUPAC Name: 4-(3,4-dimethoxyanilino)-4-oxo-2-(oxolan-2-yl)butanoic acid Traditional Name: 4-(3,4-dimethoxyanilino)-4-keto-2-(tetrahydrofuryl)butyric acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CC(C2CCCO2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CC(C2CCCO2)C(=O)O)OC

InChI

InChI=1S/C16H21NO6/c1-21-13-6-5-10(8-14(13)22-2)17-15(18)9-11(16(19)20)12-4-3-7-23-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,17,18)(H,19,20)