(E)-N-(4-butylphenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-butylphenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(4-butylphenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(4-butylphenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(4-butylphenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(4-butylphenyl)-2-cyano-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylamide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)OC)OCO3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCO3)/C#N

InChI

InChI=1S/C22H22N2O4/c1-3-4-5-15-6-8-18(9-7-15)24-22(25)17(13-23)10-16-11-19(26-2)21-20(12-16)27-14-28-21/h6-12H,3-5,14H2,1-2H3,(H,24,25)/b17-10+