2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(3-hydroxyanilino)-4-oxo-butanoic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(3-hydroxyanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(3-hydroxyanilino)-4-oxobutanoic acid Traditional Name: 2-(homoveratrylamino)-4-(3-hydroxyanilino)-4-keto-butyric acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-27-17-7-6-13(10-18(17)28-2)8-9-21-16(20(25)26)12-19(24)22-14-4-3-5-15(23)11-14/h3-7,10-11,16,21,23H,8-9,12H2,1-2H3,(H,22,24)(H,25,26)