4-[[5-chloranyl-2-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-chloranyl-2-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-chloro-2-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[5-chloro-2-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[5-chloro-2-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[5-chloro-2-[2-(2-methylphenoxy)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C20H21ClNO5- MolecularWeight: 390.83744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H22ClNO5/c1-14-4-2-3-5-17(14)26-10-11-27-18-7-6-16(21)12-15(18)13-22-19(23)8-9-20(24)25/h2-7,12H,8-11,13H2,1H3,(H,22,23)(H,24,25)/p-1