dimethyl 3-[4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[1-oxo-3-(5-phenyl-1H-pyrrol-2-yl)propyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)CCC2=CC=C(N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)CCC2=CC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O5/c1-31-22(29)12-19(13-23(30)32-2)27-15-18(14-24-27)26-21(28)11-9-17-8-10-20(25-17)16-6-4-3-5-7-16/h3-8,10,14-15,19,25H,9,11-13H2,1-2H3,(H,26,28)