(E)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)-2-m-anisoyl-acrylonitrile Formula: C21H24N2O2 MolecularWeight: 336.42746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H24N2O2/c1-14(2)13-23-15(3)9-18(16(23)4)10-19(12-22)21(24)17-7-6-8-20(11-17)25-5/h6-11,14H,13H2,1-5H3/b19-10+