3-[1-(4-tert-butylphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[1-(4-tert-butylphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[1-(4-tert-butylphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[1-(4-tert-butylphenyl)-5-(4-phenoxyphenyl)-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[1-(4-tert-butylphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[1-(4-tert-butylphenyl)-5-(4-phenoxyphenyl)pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C35H34N2O3 MolecularWeight: 530.65606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC=C(C=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

InChI

InChI=1S/C35H34N2O3/c1-24-9-8-10-26(21-24)32(34(38)39)22-28-23-33(37(36-28)29-17-15-27(16-18-29)35(2,3)4)25-13-19-31(20-14-25)40-30-11-6-5-7-12-30/h5-21,23,32H,22H2,1-4H3,(H,38,39)