3-[5-butyl-3-(methoxymethyl)-1-methyl-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid

Systemtic Name: 3-[5-butyl-3-(methoxymethyl)-1-methyl-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid Openeye Name: 3-[5-butyl-3-(methoxymethyl)-1-methyl-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid CAS Name: 3-[5-butyl-3-(methoxymethyl)-1-methyl-4-pyrazolyl]-2-methyl-6-phenylbenzoic acid IUPAC Name: 3-[5-butyl-3-(methoxymethyl)-1-methylpyrazol-4-yl]-2-methyl-6-phenylbenzoic acid Traditional Name: 3-[5-butyl-3-(methoxymethyl)-1-methyl-pyrazol-4-yl]-2-methyl-6-phenyl-benzoic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1C)COC)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CCCCC1=C(C(=NN1C)COC)C2=C(C(=C(C=C2)C3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C24H28N2O3/c1-5-6-12-21-23(20(15-29-4)25-26(21)3)18-13-14-19(17-10-8-7-9-11-17)22(16(18)2)24(27)28/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,27,28)