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

Systemtic Name: 4-[2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-keto-butyrate Formula: C22H26NO5- MolecularWeight: 384.44554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5/c1-16-12-17(2)14-20(13-16)28-11-10-27-19-5-3-4-18(15-19)8-9-23-21(24)6-7-22(25)26/h3-5,12-15H,6-11H2,1-2H3,(H,23,24)(H,25,26)/p-1