cyanomethyl (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: cyanomethyl (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: cyanomethyl (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid cyanomethyl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C(C#N)C(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C(\C#N)/C(=O)OCC#N

InChI

InChI=1S/C18H21N3O2/c1-13-10-15(11-16(12-20)18(22)23-9-8-19)14(2)21(13)17-6-4-3-5-7-17/h10-11,17H,3-7,9H2,1-2H3/b16-11+