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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxidanylidene-2-(phenylmethyl)butanoic acid Openeye Name: 2-benzyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxo-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 2-benzyl-4-(homoveratrylamino)-4-keto-butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC(CC2=CC=CC=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC(CC2=CC=CC=C2)C(=O)O)OC

InChI

InChI=1S/C21H25NO5/c1-26-18-9-8-16(13-19(18)27-2)10-11-22-20(23)14-17(21(24)25)12-15-6-4-3-5-7-15/h3-9,13,17H,10-12,14H2,1-2H3,(H,22,23)(H,24,25)