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

Systemtic Name: 4-(3,4-diphenylpyrazol-1-yl)-2-phenoxy-butanoic acid Openeye Name: 4-(3,4-diphenylpyrazol-1-yl)-2-phenoxy-butanoic acid CAS Name: 4-(3,4-diphenyl-1-pyrazolyl)-2-phenoxybutanoic acid IUPAC Name: 4-(3,4-diphenylpyrazol-1-yl)-2-phenoxybutanoic acid Traditional Name: 4-(3,4-diphenylpyrazol-1-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=CN(N=C2C3=CC=CC=C3)CCC(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(N=C2C3=CC=CC=C3)CCC(C(=O)O)OC4=CC=CC=C4

InChI

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