4-[[3-[2-(4-ethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[2-(4-ethylphenoxy)ethoxy]phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[2-(4-ethylphenoxy)ethoxy]phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-[2-(4-ethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-[2-(4-ethylphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[3-[2-(4-ethylphenoxy)ethoxy]benzyl]amino]-4-keto-butyrate Formula: C21H24NO5- MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)CNC(=O)CCC(=O)[O-]

InChI

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