4-[2-(3-hexoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(3-hexoxyphenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(3-hexoxyphenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(3-hexoxyphenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-hexoxyphenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(3-hexoxyphenyl)ethylamino]-4-keto-butyric acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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