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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1CCNC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1CCNC(=O)CCC(=O)O

InChI

InChI=1S/C18H27NO4/c1-2-3-4-7-14-23-16-9-6-5-8-15(16)12-13-19-17(20)10-11-18(21)22/h5-6,8-9H,2-4,7,10-14H2,1H3,(H,19,20)(H,21,22)