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

Systemtic Name: 4-[(4-hexoxy-3-methoxy-phenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-hexoxy-3-methoxy-phenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(4-hexoxy-3-methoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(4-hexoxy-3-methoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(4-hexoxy-3-methoxy-benzyl)amino]-4-keto-butyric acid Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO5/c1-3-4-5-6-11-24-15-8-7-14(12-16(15)23-2)13-19-17(20)9-10-18(21)22/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,19,20)(H,21,22)