4-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-[2-(3,5-dimethylphenoxy)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C21H24NO5- MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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