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

Systemtic Name: 2-(3-methylphenyl)-3-[5-naphthalen-2-yl-1-(phenylmethyl)pyrazol-3-yl]propanoic acid Openeye Name: 3-[1-benzyl-5-(2-naphthyl)pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 2-(3-methylphenyl)-3-[5-(2-naphthalenyl)-1-(phenylmethyl)-3-pyrazolyl]propanoic acid IUPAC Name: 3-(1-benzyl-5-naphthalen-2-ylpyrazol-3-yl)-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[1-benzyl-5-(2-naphthyl)pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C30H26N2O2 MolecularWeight: 446.53964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H26N2O2/c1-21-8-7-13-25(16-21)28(30(33)34)18-27-19-29(32(31-27)20-22-9-3-2-4-10-22)26-15-14-23-11-5-6-12-24(23)17-26/h2-17,19,28H,18,20H2,1H3,(H,33,34)