4-[[3-[(4-hexanoyl-3-oxidanyl-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(4-hexanoyl-3-oxidanyl-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(4-hexanoyl-3-hydroxy-phenoxy)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[[3-hydroxy-4-(1-oxohexyl)phenoxy]methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(4-hexanoyl-3-hydroxyphenoxy)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[3-[(4-caproyl-3-hydroxy-phenoxy)methyl]anilino]-4-keto-butyric acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CCC(=O)O)O

Isomeric SMILES

CCCCCC(=O)C1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C23H27NO6/c1-2-3-4-8-20(25)19-10-9-18(14-21(19)26)30-15-16-6-5-7-17(13-16)24-22(27)11-12-23(28)29/h5-7,9-10,13-14,26H,2-4,8,11-12,15H2,1H3,(H,24,27)(H,28,29)