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

Systemtic Name: phenacyl (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: phenacyl (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 phenacyl ester IUPAC Name: phenacyl (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 phenacyl ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-14-10-17(15(2)23(14)19-8-9-19)11-18(12-22)21(25)26-13-20(24)16-6-4-3-5-7-16/h3-7,10-11,19H,8-9,13H2,1-2H3/b18-11+