1,5-dimethyl-2-phenyl-4-propan-2-yl-pyrazol-3-one; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 1,5-dimethyl-2-phenyl-4-propan-2-yl-pyrazol-3-one; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 2-(4-isobutylphenyl)propanoic acid; 4-isopropyl-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-propan-2-yl-3-pyrazolone; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-(4-isobutylphenyl)propionic acid; 4-isopropyl-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H36N2O3 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

InChI

InChI=1S/C14H18N2O.C13H18O2/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h5-10H,1-4H3;4-7,9-10H,8H2,1-3H3,(H,14,15)