ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenyl-butanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenyl-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenyl-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenylbutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-4-phenyl-butyric acid ethyl ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C(C#N)C(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19NO4/c1-2-23-20(22)17(12-21)16(10-14-6-4-3-5-7-14)15-8-9-18-19(11-15)25-13-24-18/h3-9,11,16-17H,2,10,13H2,1H3