4-[(3-ethoxy-4-hexoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-ethoxy-4-hexoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-ethoxy-4-hexoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-ethoxy-4-hexoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-ethoxy-4-hexoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-ethoxy-4-hexoxy-benzyl)amino]-4-keto-butyric acid Formula: C19H29NO5 MolecularWeight: 351.43726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CNC(=O)CCC(=O)O)OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CNC(=O)CCC(=O)O)OCC

InChI

InChI=1S/C19H29NO5/c1-3-5-6-7-12-25-16-9-8-15(13-17(16)24-4-2)14-20-18(21)10-11-19(22)23/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,20,21)(H,22,23)