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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)[O-])OCCC2=CC=CC=C2

InChI

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