2-[2-(2-chloranyl-4-methyl-phenyl)-5-(cyclohexylcarbamoyl)-4-methyl-pyrazol-3-yl]-5-propan-2-yl-benzoic acid

Systemtic Name: 2-[2-(2-chloranyl-4-methyl-phenyl)-5-(cyclohexylcarbamoyl)-4-methyl-pyrazol-3-yl]-5-propan-2-yl-benzoic acid Openeye Name: 2-[2-(2-chloro-4-methyl-phenyl)-5-(cyclohexylcarbamoyl)-4-methyl-pyrazol-3-yl]-5-isopropyl-benzoic acid CAS Name: 2-[2-(2-chloro-4-methylphenyl)-5-[(cyclohexylamino)-oxomethyl]-4-methyl-3-pyrazolyl]-5-propan-2-ylbenzoic acid IUPAC Name: 2-[2-(2-chloro-4-methylphenyl)-5-(cyclohexylcarbamoyl)-4-methylpyrazol-3-yl]-5-propan-2-ylbenzoic acid Traditional Name: 2-[2-(2-chloro-4-methyl-phenyl)-5-(cyclohexylcarbamoyl)-4-methyl-pyrazol-3-yl]-5-isopropyl-benzoic acid Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C(=O)NC3CCCCC3)C)C4=C(C=C(C=C4)C(C)C)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C(=O)NC3CCCCC3)C)C4=C(C=C(C=C4)C(C)C)C(=O)O)Cl

InChI

InChI=1S/C28H32ClN3O3/c1-16(2)19-11-12-21(22(15-19)28(34)35)26-18(4)25(27(33)30-20-8-6-5-7-9-20)31-32(26)24-13-10-17(3)14-23(24)29/h10-16,20H,5-9H2,1-4H3,(H,30,33)(H,34,35)