(E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-N-(3-methoxypropyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(3-methoxypropyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-N-(3-methoxypropyl)acrylamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NCCCOC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NCCCOC)C

InChI

InChI=1S/C21H25N3O2/c1-15-6-8-20(9-7-15)24-16(2)12-18(17(24)3)13-19(14-22)21(25)23-10-5-11-26-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,25)/b19-13+