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

Systemtic Name: methyl 4-[[3-[(4-hexanoyl-3-oxidanyl-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-[(4-hexanoyl-3-hydroxy-phenoxy)methyl]anilino]-4-oxo-butanoate CAS Name: 4-[3-[[3-hydroxy-4-(1-oxohexyl)phenoxy]methyl]anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-hexanoyl-3-hydroxyphenoxy)methyl]anilino]-4-oxobutanoate Traditional Name: 4-[3-[(4-caproyl-3-hydroxy-phenoxy)methyl]anilino]-4-keto-butyric acid methyl ester Formula: C24H29NO6 MolecularWeight: 427.49016

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO6/c1-3-4-5-9-21(26)20-11-10-19(15-22(20)27)31-16-17-7-6-8-18(14-17)25-23(28)12-13-24(29)30-2/h6-8,10-11,14-15,27H,3-5,9,12-13,16H2,1-2H3,(H,25,28)