3-[4-[[4-[(3-phenyl-5-propan-2-yl-pyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-[(3-phenyl-5-propan-2-yl-pyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Openeye Name: 3-[4-[[4-[(5-isopropyl-3-phenyl-pyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid CAS Name: 3-[4-[[4-[(3-phenyl-5-propan-2-yl-1-pyrazolyl)methyl]phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-[(3-phenyl-5-propan-2-ylpyrazol-1-yl)methyl]phenyl]methoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[(5-isopropyl-3-phenyl-pyrazol-1-yl)methyl]benzyl]oxyphenyl]propionic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1CC2=CC=C(C=C2)COC3=CC=C(C=C3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC(=NN1CC2=CC=C(C=C2)COC3=CC=C(C=C3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-21(2)28-18-27(25-6-4-3-5-7-25)30-31(28)19-23-8-10-24(11-9-23)20-34-26-15-12-22(13-16-26)14-17-29(32)33/h3-13,15-16,18,21H,14,17,19-20H2,1-2H3,(H,32,33)