[2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[3-cyano-1-(3-methoxypropyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC(=CN2)C(=O)C)CCCOC)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CC(=CN2)C(=O)C)CCCOC)C

InChI

InChI=1S/C20H24N4O5/c1-12-13(2)24(6-5-7-28-4)19(16(12)9-21)23-18(26)11-29-20(27)17-8-15(10-22-17)14(3)25/h8,10,22H,5-7,11H2,1-4H3,(H,23,26)