6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxo-hexanoic acid CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxohexanoic acid IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxohexanoic acid Traditional Name: 6-(homoveratrylamino)-6-keto-hexanoic acid Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCCC(=O)O)OC

InChI

InChI=1S/C16H23NO5/c1-21-13-8-7-12(11-14(13)22-2)9-10-17-15(18)5-3-4-6-16(19)20/h7-8,11H,3-6,9-10H2,1-2H3,(H,17,18)(H,19,20)