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

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 4-phenyl-1H-pyrrole-3-carboxylic acid [2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 4-phenyl-1H-pyrrole-3-carboxylic acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CNC=C2C3=CC=CC=C3)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CNC=C2C3=CC=CC=C3)CC4=CC=CO4)C

InChI

InChI=1S/C25H22N4O4/c1-16-17(2)29(14-19-9-6-10-32-19)24(20(16)11-26)28-23(30)15-33-25(31)22-13-27-12-21(22)18-7-4-3-5-8-18/h3-10,12-13,27H,14-15H2,1-2H3,(H,28,30)