4-[(4-dodecoxyphenyl)methyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid

Systemtic Name: 4-[(4-dodecoxyphenyl)methyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid Openeye Name: 4-[(4-dodecoxyphenyl)methyl-(4-hydroxy-4-oxo-butyl)amino]butanoic acid CAS Name: 4-[(4-dodecoxyphenyl)methyl-(4-hydroxy-4-oxobutyl)amino]butanoic acid IUPAC Name: 4-[(4-dodecoxyphenyl)methyl-(4-hydroxy-4-oxobutyl)amino]butanoic acid Traditional Name: 4-[(4-hydroxy-4-keto-butyl)-(4-lauryloxybenzyl)amino]butyric acid Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CN(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CN(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C27H45NO5/c1-2-3-4-5-6-7-8-9-10-11-22-33-25-18-16-24(17-19-25)23-28(20-12-14-26(29)30)21-13-15-27(31)32/h16-19H,2-15,20-23H2,1H3,(H,29,30)(H,31,32)