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

Systemtic Name: 3-[[3-[(4-hexanoyl-3-methoxy-phenoxy)methyl]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[(4-hexanoyl-3-methoxy-phenoxy)methyl]anilino]-3-oxo-propanoic acid CAS Name: 3-[3-[[3-methoxy-4-(1-oxohexyl)phenoxy]methyl]anilino]-3-oxopropanoic acid IUPAC Name: 3-[3-[(4-hexanoyl-3-methoxyphenoxy)methyl]anilino]-3-oxopropanoic acid Traditional Name: 3-[3-[(4-caproyl-3-methoxy-phenoxy)methyl]anilino]-3-keto-propionic 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)CC(=O)O)OC

Isomeric SMILES

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

InChI

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