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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4-hydroxyanilino)-4-oxo-butanoic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4-hydroxyanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(4-hydroxyanilino)-4-oxobutanoic acid Traditional Name: 2-(homoveratrylamino)-4-(4-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=C(C=C2)O)C(=O)O)OC

Isomeric SMILES

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

InChI

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