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

Systemtic Name: 3-[4-[[4-[(3-methyl-5-phenyl-pyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[4-[(3-methyl-5-phenyl-pyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[4-[(3-methyl-5-phenyl-1-pyrazolyl)methyl]phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-[(3-methyl-5-phenylpyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[(3-methyl-5-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=NN(C(=C1)C2=CC=CC=C2)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2)CC3=CC=C(C=C3)COC4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C27H26N2O3/c1-20-17-26(24-5-3-2-4-6-24)29(28-20)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)