4-[2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[4-[2-(3-methylphenoxy)ethoxy]phenyl]ethylamino]butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-16-3-2-4-19(15-16)27-14-13-26-18-7-5-17(6-8-18)11-12-22-20(23)9-10-21(24)25/h2-8,15H,9-14H2,1H3,(H,22,23)(H,24,25)