(E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-isopentyloxy-3-methoxy-phenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-[(2-methyl-3-furanyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-isoamoxy-3-methoxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=CC2=CC(=C(C=C2)OCCC(C)C)OC)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)/C(=C/C2=CC(=C(C=C2)OCCC(C)C)OC)/C#N

InChI

InChI=1S/C21H23NO4/c1-14(2)7-9-26-19-6-5-16(12-20(19)24-4)11-17(13-22)21(23)18-8-10-25-15(18)3/h5-6,8,10-12,14H,7,9H2,1-4H3/b17-11+