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

Systemtic Name: 3-[[3-[(4-hexanoyl-3-oxidanyl-phenoxy)methyl]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[(4-hexanoyl-3-hydroxy-phenoxy)methyl]anilino]-3-oxo-propanoic acid CAS Name: 3-[3-[[3-hydroxy-4-(1-oxohexyl)phenoxy]methyl]anilino]-3-oxopropanoic acid IUPAC Name: 3-[3-[(4-hexanoyl-3-hydroxyphenoxy)methyl]anilino]-3-oxopropanoic acid Traditional Name: 3-[3-[(4-caproyl-3-hydroxy-phenoxy)methyl]anilino]-3-keto-propionic acid Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-2-3-4-8-19(24)18-10-9-17(12-20(18)25)29-14-15-6-5-7-16(11-15)23-21(26)13-22(27)28/h5-7,9-12,25H,2-4,8,13-14H2,1H3,(H,23,26)(H,27,28)