(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-m-toluoyl-acrylonitrile Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=C(N(C(=C2)C)CC3=CC=CO3)C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=C(N(C(=C2)C)CC3=CC=CO3)C)/C#N

InChI

InChI=1S/C22H20N2O2/c1-15-6-4-7-18(10-15)22(25)20(13-23)12-19-11-16(2)24(17(19)3)14-21-8-5-9-26-21/h4-12H,14H2,1-3H3/b20-12+