3-methylbutyl (E)-2-cyano-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enoate

Systemtic Name: 3-methylbutyl (E)-2-cyano-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enoate Openeye Name: isopentyl (E)-2-cyano-3-[5-(p-tolyl)-2-furyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[5-(4-methylphenyl)-2-furanyl]-2-propenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (E)-2-cyano-3-[5-(4-methylphenyl)furan-2-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[5-(p-tolyl)-2-furyl]acrylic acid isoamyl ester Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)OCCC(C)C

InChI

InChI=1S/C20H21NO3/c1-14(2)10-11-23-20(22)17(13-21)12-18-8-9-19(24-18)16-6-4-15(3)5-7-16/h4-9,12,14H,10-11H2,1-3H3/b17-12+