5-butyl-2-ethyl-4-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-butyl-2-ethyl-4-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]pyrazole-3-carboxylic acid Openeye Name: 4-[[4-(2-tert-butoxycarbonylphenyl)phenyl]methyl]-5-butyl-2-ethyl-pyrazole-3-carboxylic acid CAS Name: 5-butyl-2-ethyl-4-[[4-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]phenyl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-butyl-2-ethyl-4-[[4-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]phenyl]methyl]pyrazole-3-carboxylic acid Traditional Name: 4-[4-(2-tert-butoxycarbonylphenyl)benzyl]-5-butyl-2-ethyl-pyrazole-3-carboxylic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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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)C(=O)O)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-6-8-13-24-23(25(26(31)32)30(7-2)29-24)18-19-14-16-20(17-15-19)21-11-9-10-12-22(21)27(33)34-28(3,4)5/h9-12,14-17H,6-8,13,18H2,1-5H3,(H,31,32)