4-[2-(4-hexoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(4-hexoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-hexoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(4-hexoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-hexoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(4-hexoxyphenyl)ethylamino]-4-keto-butyric acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CCNC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CCNC(=O)CCC(=O)O

InChI

InChI=1S/C18H27NO4/c1-2-3-4-5-14-23-16-8-6-15(7-9-16)12-13-19-17(20)10-11-18(21)22/h6-9H,2-5,10-14H2,1H3,(H,19,20)(H,21,22)