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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: (2-benzamido-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-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-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-benzamido-2-keto-ethyl) ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-4-5-11-26-16(2)12-19(17(26)3)13-20(14-24)23(29)30-15-21(27)25-22(28)18-9-7-6-8-10-18/h6-10,12-13H,4-5,11,15H2,1-3H3,(H,25,27,28)/b20-13+