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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-15-3-6-17(7-4-15)27-11-12-28-19-13-16(5-8-18(19)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