(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[oxo-(4-propylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-propylbenzoyl)acrylonitrile Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC3=C(C(=C2)OC)OCCO3)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC3=C(C(=C2)OC)OCCO3)/C#N

InChI

InChI=1S/C22H21NO4/c1-3-4-15-5-7-17(8-6-15)21(24)18(14-23)11-16-12-19(25-2)22-20(13-16)26-9-10-27-22/h5-8,11-13H,3-4,9-10H2,1-2H3/b18-11+