(4-cyanophenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (4-cyanophenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (4-cyanophenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (4-cyanobenzyl) ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O2/c1-14-9-18(15(2)24(14)20-7-8-20)10-19(12-23)21(25)26-13-17-5-3-16(11-22)4-6-17/h3-6,9-10,20H,7-8,13H2,1-2H3/b19-10+