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

Systemtic Name: 4-[[3-methoxy-2-[2-(3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-methoxy-2-[2-(3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-methoxy-2-[2-(3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-methoxy-2-[2-(3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[3-methoxy-2-[2-(3-methylphenoxy)ethoxy]benzyl]amino]butyric acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC2=C(C=CC=C2OC)CNC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC2=C(C=CC=C2OC)CNC(=O)CCC(=O)O

InChI

InChI=1S/C21H25NO6/c1-15-5-3-7-17(13-15)27-11-12-28-21-16(6-4-8-18(21)26-2)14-22-19(23)9-10-20(24)25/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)(H,24,25)