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

Systemtic Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)carbonyl-3-(3-methoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(3-methoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-propyl-3-pyrrolyl)-oxomethyl]-3-(3-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-propylpyrrole-3-carbonyl)-3-(3-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(2,5-dimethyl-1-propyl-pyrrole-3-carbonyl)-3-(3-methoxyphenyl)acrylonitrile Formula: C20H22N2O2 MolecularWeight: 322.40088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C(=CC2=CC(=CC=C2)OC)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)/C(=C/C2=CC(=CC=C2)OC)/C#N)C

InChI

InChI=1S/C20H22N2O2/c1-5-9-22-14(2)10-19(15(22)3)20(23)17(13-21)11-16-7-6-8-18(12-16)24-4/h6-8,10-12H,5,9H2,1-4H3/b17-11+