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

Systemtic Name: tert-butyl 2-[4-[(3-butyl-1-ethyl-5-methanoyl-pyrazol-4-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(3-butyl-1-ethyl-5-formyl-pyrazol-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-1-ethyl-5-formyl-4-pyrazolyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(3-butyl-1-ethyl-5-formylpyrazol-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-1-ethyl-5-formyl-pyrazol-4-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3/c1-6-8-13-25-24(26(19-31)30(7-2)29-25)18-20-14-16-21(17-15-20)22-11-9-10-12-23(22)27(32)33-28(3,4)5/h9-12,14-17,19H,6-8,13,18H2,1-5H3