(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (E)-2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC(=O)N2CCCCC2

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)/C=C(\C#N)/C(=O)OCC(=O)N2CCCCC2

InChI

InChI=1S/C22H31N3O3/c1-16(2)8-11-25-17(3)12-19(18(25)4)13-20(14-23)22(27)28-15-21(26)24-9-6-5-7-10-24/h12-13,16H,5-11,15H2,1-4H3/b20-13+