ethyl 3-(1,3-benzodioxol-5-yl)-3-[bis(2-hydroxyethyl)amino]-2-cyano-propanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[bis(2-hydroxyethyl)amino]-2-cyano-propanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[bis(2-hydroxyethyl)amino]-2-cyano-propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[bis(2-hydroxyethyl)amino]-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-3-[bis(2-hydroxyethyl)amino]-2-cyanopropanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[bis(2-hydroxyethyl)amino]-2-cyano-propionic acid ethyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1=CC2=C(C=C1)OCO2)N(CCO)CCO

Isomeric SMILES

CCOC(=O)C(C#N)C(C1=CC2=C(C=C1)OCO2)N(CCO)CCO

InChI

InChI=1S/C17H22N2O6/c1-2-23-17(22)13(10-18)16(19(5-7-20)6-8-21)12-3-4-14-15(9-12)25-11-24-14/h3-4,9,13,16,20-21H,2,5-8,11H2,1H3