4-oxidanylidene-4-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylamino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylamino]butanoate Openeye Name: 4-oxo-4-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylamino]butanoate CAS Name: 4-oxo-4-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylamino]butanoate IUPAC Name: 4-oxo-4-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]methylamino]butanoate Traditional Name: 4-keto-4-[[3-[2-(2,3,5-trimethylphenoxy)ethoxy]benzyl]amino]butyrate Formula: C22H26NO5- MolecularWeight: 384.44554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCOC2=CC=CC(=C2)CNC(=O)CCC(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCOC2=CC=CC(=C2)CNC(=O)CCC(=O)[O-])C)C

InChI

InChI=1S/C22H27NO5/c1-15-11-16(2)17(3)20(12-15)28-10-9-27-19-6-4-5-18(13-19)14-23-21(24)7-8-22(25)26/h4-6,11-13H,7-10,14H2,1-3H3,(H,23,24)(H,25,26)/p-1