methyl 2-[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[(E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acryloyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C23H25N3O5/c1-5-10-26-15(2)11-17(16(26)3)12-18(13-24)22(28)31-14-21(27)25-20-9-7-6-8-19(20)23(29)30-4/h6-9,11-12H,5,10,14H2,1-4H3,(H,25,27)/b18-12+