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

Systemtic Name: 4-[[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[3-methoxy-4-[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=C(C=C2)CNC(=O)CCC(=O)O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC2=C(C=C(C=C2)CNC(=O)CCC(=O)O)OC

InChI

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