4-[[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[2-[2-(2,6-dimethylphenoxy)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C21H24NO5- MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCOC2=CC=CC=C2CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCOC2=CC=CC=C2CNC(=O)CCC(=O)[O-]

InChI

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