7-[butanoyl-[[4-(1-oxidanylhexyl)phenyl]methyl]amino]heptanoic acid

Systemtic Name: 7-[butanoyl-[[4-(1-oxidanylhexyl)phenyl]methyl]amino]heptanoic acid Openeye Name: 7-[butanoyl-[[4-(1-hydroxyhexyl)phenyl]methyl]amino]heptanoic acid CAS Name: 7-[[4-(1-hydroxyhexyl)phenyl]methyl-(1-oxobutyl)amino]heptanoic acid IUPAC Name: 7-[butanoyl-[[4-(1-hydroxyhexyl)phenyl]methyl]amino]heptanoic acid Traditional Name: 7-[butyryl-[4-(1-hydroxyhexyl)benzyl]amino]enanthic acid Formula: C24H39NO4 MolecularWeight: 405.57076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)C(=O)CCC)O

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)CN(CCCCCCC(=O)O)C(=O)CCC)O

InChI

InChI=1S/C24H39NO4/c1-3-5-8-12-22(26)21-16-14-20(15-17-21)19-25(23(27)11-4-2)18-10-7-6-9-13-24(28)29/h14-17,22,26H,3-13,18-19H2,1-2H3,(H,28,29)