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

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(3,4-dimethoxyphenyl)methylamino]-6-oxo-hexanoic acid CAS Name: 6-[(3,4-dimethoxyphenyl)methylamino]-6-oxohexanoic acid IUPAC Name: 6-[(3,4-dimethoxyphenyl)methylamino]-6-oxohexanoic acid Traditional Name: 6-keto-6-(veratrylamino)hexanoic acid Formula: C15H21NO5 MolecularWeight: 295.33094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5/c1-20-12-8-7-11(9-13(12)21-2)10-16-14(17)5-3-4-6-15(18)19/h7-9H,3-6,10H2,1-2H3,(H,16,17)(H,18,19)