5-[2-[[(3-methoxyphenyl)methylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[2-[[(3-methoxyphenyl)methylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-[2-[[(3-methoxyphenyl)methylamino]methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-[2-[[(3-methoxyphenyl)methylamino]methyl]-1-pyrrolyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[2-[[(3-methoxyphenyl)methylamino]methyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-[2-[(m-anisylamino)methyl]pyrrol-1-yl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNCC2=CC=CN2C3=C(C=NN3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNCC2=CC=CN2C3=C(C=NN3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H22N4O3/c1-30-20-11-5-7-17(13-20)14-24-15-19-10-6-12-26(19)22-21(23(28)29)16-25-27(22)18-8-3-2-4-9-18/h2-13,16,24H,14-15H2,1H3,(H,28,29)