4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzyl]amino]butyrate Formula: C21H24NO6- MolecularWeight: 386.41836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-15-5-3-4-6-17(15)27-11-12-28-18-8-7-16(13-19(18)26-2)14-22-20(23)9-10-21(24)25/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)(H,24,25)/p-1