2-(1H-indol-3-yl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid Openeye Name: 2-(1H-indol-3-yl)-3-[1-(4-methoxyphenyl)-5-(p-tolyl)pyrazol-3-yl]propanoic acid CAS Name: 2-(1H-indol-3-yl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)-3-pyrazolyl]propanoic acid IUPAC Name: 2-(1H-indol-3-yl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid Traditional Name: 2-(1H-indol-3-yl)-3-[1-(4-methoxyphenyl)-5-(p-tolyl)pyrazol-3-yl]propionic acid Formula: C28H25N3O3 MolecularWeight: 451.5164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OC)CC(C4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)OC)CC(C4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C28H25N3O3/c1-18-7-9-19(10-8-18)27-16-20(30-31(27)21-11-13-22(34-2)14-12-21)15-24(28(32)33)25-17-29-26-6-4-3-5-23(25)26/h3-14,16-17,24,29H,15H2,1-2H3,(H,32,33)