2-[2-(4-methoxyphenyl)-4-pyrrol-1-yl-3H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)-4-pyrrol-1-yl-3H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[2-(4-methoxyphenyl)-4-pyrrol-1-yl-3H-pyrazol-4-yl]acetic acid CAS Name: 2-[2-(4-methoxyphenyl)-4-(1-pyrrolyl)-3H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[2-(4-methoxyphenyl)-4-pyrrol-1-yl-3H-pyrazol-4-yl]acetic acid Traditional Name: 2-[1-(4-methoxyphenyl)-4-pyrrol-1-yl-2-pyrazolin-4-yl]acetic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC(C=N2)(CC(=O)O)N3C=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC(C=N2)(CC(=O)O)N3C=CC=C3

InChI

InChI=1S/C16H17N3O3/c1-22-14-6-4-13(5-7-14)19-12-16(11-17-19,10-15(20)21)18-8-2-3-9-18/h2-9,11H,10,12H2,1H3,(H,20,21)