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

Systemtic Name: methyl 3-[[3-[(4-hexanoyl-3-oxidanyl-phenoxy)methyl]phenyl]amino]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[3-[(4-hexanoyl-3-hydroxy-phenoxy)methyl]anilino]-3-oxo-propanoate CAS Name: 3-[3-[[3-hydroxy-4-(1-oxohexyl)phenoxy]methyl]anilino]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-hexanoyl-3-hydroxyphenoxy)methyl]anilino]-3-oxopropanoate Traditional Name: 3-[3-[(4-caproyl-3-hydroxy-phenoxy)methyl]anilino]-3-keto-propionic acid methyl ester 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)CC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-3-4-5-9-20(25)19-11-10-18(13-21(19)26)30-15-16-7-6-8-17(12-16)24-22(27)14-23(28)29-2/h6-8,10-13,26H,3-5,9,14-15H2,1-2H3,(H,24,27)