5-[2-[[2-(2,4-dimethoxyphenyl)ethylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2-[[2-(2,4-dimethoxyphenyl)ethylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[2-[[2-(2,4-dimethoxyphenyl)ethylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[2-[[2-(2,4-dimethoxyphenyl)ethylamino]methyl]-1-pyrrolyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[2-[[2-(2,4-dimethoxyphenyl)ethylamino]methyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[2-[[2-(2,4-dimethoxyphenyl)ethylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCNCC2=CC=CN2C3=C(C=NN3C4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CCNCC2=CC=CN2C3=C(C=NN3C4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C25H26N4O4/c1-32-21-11-10-18(23(15-21)33-2)12-13-26-16-20-9-6-14-28(20)24-22(25(30)31)17-27-29(24)19-7-4-3-5-8-19/h3-11,14-15,17,26H,12-13,16H2,1-2H3,(H,30,31)