4-[4-[2-(3,4-dimethoxyphenyl)ethanoylamino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-(3,4-dimethoxyphenyl)ethanoylamino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(homoveratroylamino)phenyl]-4-keto-butyric acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)CCC(=O)O)OC

InChI

InChI=1S/C20H21NO6/c1-26-17-9-3-13(11-18(17)27-2)12-19(23)21-15-6-4-14(5-7-15)16(22)8-10-20(24)25/h3-7,9,11H,8,10,12H2,1-2H3,(H,21,23)(H,24,25)