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

Systemtic Name: 3-[[3-[(4-hexyl-3-methoxy-phenoxy)methyl]phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[(4-hexyl-3-methoxy-phenoxy)methyl]anilino]-3-oxo-propanoic acid CAS Name: 3-[3-[(4-hexyl-3-methoxyphenoxy)methyl]anilino]-3-oxopropanoic acid IUPAC Name: 3-[3-[(4-hexyl-3-methoxyphenoxy)methyl]anilino]-3-oxopropanoic acid Traditional Name: 3-[3-[(4-hexyl-3-methoxy-phenoxy)methyl]anilino]-3-keto-propionic acid Formula: C23H29NO5 MolecularWeight: 399.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CC(=O)O)OC

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CC(=O)O)OC

InChI

InChI=1S/C23H29NO5/c1-3-4-5-6-9-18-11-12-20(14-21(18)28-2)29-16-17-8-7-10-19(13-17)24-22(25)15-23(26)27/h7-8,10-14H,3-6,9,15-16H2,1-2H3,(H,24,25)(H,26,27)