2-[4-[(E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]phenoxy]acetonitrile Formula: C20H22N2O2 MolecularWeight: 322.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=CC(=O)C2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C/C(=O)C2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C20H22N2O2/c1-14(2)22-15(3)13-18(16(22)4)7-10-20(23)17-5-8-19(9-6-17)24-12-11-21/h5-10,13-14H,12H2,1-4H3/b10-7+