3-(1-cyclohexyl-5-naphthalen-2-yl-pyrazol-3-yl)-2-(3-methylphenyl)propanoic acid

Systemtic Name: 3-(1-cyclohexyl-5-naphthalen-2-yl-pyrazol-3-yl)-2-(3-methylphenyl)propanoic acid Openeye Name: 3-[1-cyclohexyl-5-(2-naphthyl)pyrazol-3-yl]-2-(m-tolyl)propanoic acid CAS Name: 3-[1-cyclohexyl-5-(2-naphthalenyl)-3-pyrazolyl]-2-(3-methylphenyl)propanoic acid IUPAC Name: 3-(1-cyclohexyl-5-naphthalen-2-ylpyrazol-3-yl)-2-(3-methylphenyl)propanoic acid Traditional Name: 3-[1-cyclohexyl-5-(2-naphthyl)pyrazol-3-yl]-2-(m-tolyl)propionic acid Formula: C29H30N2O2 MolecularWeight: 438.5607

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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)C5CCCCC5)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=NN(C(=C2)C3=CC4=CC=CC=C4C=C3)C5CCCCC5)C(=O)O

InChI

InChI=1S/C29H30N2O2/c1-20-8-7-11-23(16-20)27(29(32)33)18-25-19-28(31(30-25)26-12-3-2-4-13-26)24-15-14-21-9-5-6-10-22(21)17-24/h5-11,14-17,19,26-27H,2-4,12-13,18H2,1H3,(H,32,33)