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

Systemtic Name: 4-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(3,4-dimethylphenoxy)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C21H24NO5- MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-15-3-6-19(13-16(15)2)27-12-11-26-18-7-4-17(5-8-18)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