3-[4-[[4-[(5-methyl-3-phenyl-pyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-[(5-methyl-3-phenyl-pyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[4-[(5-methyl-3-phenyl-pyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[4-[(5-methyl-3-phenyl-1-pyrazolyl)methyl]phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-[(5-methyl-3-phenylpyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[(5-methyl-3-phenyl-pyrazol-1-yl)methyl]benzyl]oxyphenyl]propionic acid Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)COC3=CC=C(C=C3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)COC3=CC=C(C=C3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-20-17-26(24-5-3-2-4-6-24)28-29(20)18-22-7-9-23(10-8-22)19-32-25-14-11-21(12-15-25)13-16-27(30)31/h2-12,14-15,17H,13,16,18-19H2,1H3,(H,30,31)