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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-15-6-7-19(16(2)12-15)27-11-10-26-18-5-3-4-17(13-18)14-22-20(23)8-9-21(24)25/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,23)(H,24,25)/p-1