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

Systemtic Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxo-butanoate CAS Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoate Traditional Name: 4-[2-[4-[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=C(C=C2)CCNC(=O)CCC(=O)[O-])C

Isomeric SMILES

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

InChI

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