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

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C(C#N)C(=O)OCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=C(\C#N)/C(=O)OCC(=O)N3CCCC3

InChI

InChI=1S/C22H22ClN3O3/c1-15-10-17(16(2)26(15)20-7-5-6-19(23)12-20)11-18(13-24)22(28)29-14-21(27)25-8-3-4-9-25/h5-7,10-12H,3-4,8-9,14H2,1-2H3/b18-11+