(E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[4-methoxy-3-(8-quinolyloxymethyl)phenyl]prop-2-enamide CAS Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[4-methoxy-3-(8-quinolinyloxymethyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-methoxy-3-(8-quinolyloxymethyl)phenyl]-N-piperonyl-acrylamide Formula: C29H23N3O5 MolecularWeight: 493.51002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC3=C(C=C2)OCO3)COC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCC2=CC3=C(C=C2)OCO3)COC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C29H23N3O5/c1-34-24-9-7-19(13-23(24)17-35-26-6-2-4-21-5-3-11-31-28(21)26)12-22(15-30)29(33)32-16-20-8-10-25-27(14-20)37-18-36-25/h2-14H,16-18H2,1H3,(H,32,33)/b22-12+