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

Systemtic Name: tert-butyl 2-[4-[[3-butyl-5-(phenylmethoxymethyl)-1-propan-2-yl-pyrazol-4-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[5-(benzyloxymethyl)-3-butyl-1-isopropyl-pyrazol-4-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-butyl-5-(phenylmethoxymethyl)-1-propan-2-yl-4-pyrazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[3-butyl-5-(phenylmethoxymethyl)-1-propan-2-ylpyrazol-4-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[5-(benzoxymethyl)-3-butyl-1-isopropyl-pyrazol-4-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C36H44N2O3 MolecularWeight: 552.74616

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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)COCC4=CC=CC=C4)C(C)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)COCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C36H44N2O3/c1-7-8-18-33-32(34(38(37-33)26(2)3)25-40-24-28-14-10-9-11-15-28)23-27-19-21-29(22-20-27)30-16-12-13-17-31(30)35(39)41-36(4,5)6/h9-17,19-22,26H,7-8,18,23-25H2,1-6H3