ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methoxyphenyl)propanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methoxyphenyl)propanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methoxyphenyl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methoxyphenyl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-3-24-20(22)16(11-21)19(13-4-7-15(23-2)8-5-13)14-6-9-17-18(10-14)26-12-25-17/h4-10,16,19H,3,12H2,1-2H3