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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(2-methoxyanilino)-4-oxo-butanoic acid CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(2-methoxyanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-(2-methoxyanilino)-4-oxobutanoic acid Traditional Name: 2-(homoveratrylamino)-4-keto-4-(o-anisidino)butyric acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(CC(=O)NC2=CC=CC=C2OC)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(CC(=O)NC2=CC=CC=C2OC)C(=O)O)OC

InChI

InChI=1S/C21H26N2O6/c1-27-17-7-5-4-6-15(17)23-20(24)13-16(21(25)26)22-11-10-14-8-9-18(28-2)19(12-14)29-3/h4-9,12,16,22H,10-11,13H2,1-3H3,(H,23,24)(H,25,26)