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

Systemtic Name: tert-butyl 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-pyrazol-4-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-pyrazol-4-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-4-pyrazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenylpyrazol-4-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[3-butyl-5-(methoxymethyl)-1-phenyl-pyrazol-4-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H38N2O3 MolecularWeight: 510.66642

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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)COC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C33H38N2O3/c1-6-7-17-30-29(31(23-37-5)35(34-30)26-13-9-8-10-14-26)22-24-18-20-25(21-19-24)27-15-11-12-16-28(27)32(36)38-33(2,3)4/h8-16,18-21H,6-7,17,22-23H2,1-5H3