4-(1,5-diphenylpyrazol-3-yl)-2-phenoxy-butanoic acid

Systemtic Name: 4-(1,5-diphenylpyrazol-3-yl)-2-phenoxy-butanoic acid Openeye Name: 4-(1,5-diphenylpyrazol-3-yl)-2-phenoxy-butanoic acid CAS Name: 4-(1,5-diphenyl-3-pyrazolyl)-2-phenoxybutanoic acid IUPAC Name: 4-(1,5-diphenylpyrazol-3-yl)-2-phenoxybutanoic acid Traditional Name: 4-(1,5-diphenylpyrazol-3-yl)-2-phenoxy-butyric acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)CCC(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)CCC(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c28-25(29)24(30-22-14-8-3-9-15-22)17-16-20-18-23(19-10-4-1-5-11-19)27(26-20)21-12-6-2-7-13-21/h1-15,18,24H,16-17H2,(H,28,29)