(2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: (2-anilino-2-oxo-ethyl) (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid (2-anilino-2-keto-ethyl) ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C22H25N3O3/c1-4-5-11-25-16(2)12-18(17(25)3)13-19(14-23)22(27)28-15-21(26)24-20-9-7-6-8-10-20/h6-10,12-13H,4-5,11,15H2,1-3H3,(H,24,26)/b19-13+