tert-butyl 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methyl-pyrazol-4-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methyl-4-pyrazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[3-butyl-5-(hydroxymethyl)-1-methylpyrazol-4-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-1-methyl-5-methylol-pyrazol-4-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CO)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CO)C

InChI

InChI=1S/C27H34N2O3/c1-6-7-12-24-23(25(18-30)29(5)28-24)17-19-13-15-20(16-14-19)21-10-8-9-11-22(21)26(31)32-27(2,3)4/h8-11,13-16,30H,6-7,12,17-18H2,1-5H3