3-[5-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid

Systemtic Name: 3-[5-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[5-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[5-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-[5-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-3-yl]-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[5-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H24N2O4/c1-18-6-5-9-20(12-18)23(27(30)31)14-22-15-24(21-10-11-25-26(13-21)33-17-32-25)29(28-22)16-19-7-3-2-4-8-19/h2-13,15,23H,14,16-17H2,1H3,(H,30,31)