4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(m-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(3-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(3-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(homoveratrylamino)-4-keto-2-(3-methylbenzyl)butyric acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(CC(=O)NCCC2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C22H27NO5/c1-15-5-4-6-17(11-15)12-18(22(25)26)14-21(24)23-10-9-16-7-8-19(27-2)20(13-16)28-3/h4-8,11,13,18H,9-10,12,14H2,1-3H3,(H,23,24)(H,25,26)