methyl 3-[[(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-1-oxoprop-2-enyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acryloyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H27N3O3 MolecularWeight: 393.47878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-6-7-10-26-16(3)11-19(17(26)4)12-20(14-24)22(27)25-21-13-18(23(28)29-5)9-8-15(21)2/h8-9,11-13H,6-7,10H2,1-5H3,(H,25,27)/b20-12+