[4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[1-oxo-3-(5-phenyl-1H-pyrrol-2-yl)propyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]pyrazol-1-yl]methyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CCC2=CC=C(N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=C(C=N1)NC(=O)CCC2=CC=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-22(2,3)21(28)29-15-26-14-18(13-23-26)25-20(27)12-10-17-9-11-19(24-17)16-7-5-4-6-8-16/h4-9,11,13-14,24H,10,12,15H2,1-3H3,(H,25,27)