dimethyl 3-[4-[(2-pyrrol-1-ylphenyl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(2-pyrrol-1-ylphenyl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-pyrrol-1-ylbenzoyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-pyrrol-1-ylbenzoyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(2-pyrrol-1-ylbenzoyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C21H22N4O5/c1-29-19(26)11-16(12-20(27)30-2)25-14-15(13-22-25)23-21(28)17-7-3-4-8-18(17)24-9-5-6-10-24/h3-10,13-14,16H,11-12H2,1-2H3,(H,23,28)