4-[[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-[2-(2,6-dimethylphenoxy)ethoxy]benzyl]amino]-4-keto-butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-15-5-3-6-16(2)21(15)27-12-11-26-18-8-4-7-17(13-18)14-22-19(23)9-10-20(24)25/h3-8,13H,9-12,14H2,1-2H3,(H,22,23)(H,24,25)