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

Systemtic Name: tert-butyl 2-[4-[[3-butyl-5-(phenylmethoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[5-(benzyloxymethyl)-3-butyl-1H-pyrazol-4-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[3-butyl-5-(phenylmethoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[3-butyl-5-(phenylmethoxymethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[5-(benzoxymethyl)-3-butyl-1H-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=NNC(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)COCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C33H38N2O3/c1-5-6-16-30-29(31(35-34-30)23-37-22-25-12-8-7-9-13-25)21-24-17-19-26(20-18-24)27-14-10-11-15-28(27)32(36)38-33(2,3)4/h7-15,17-20H,5-6,16,21-23H2,1-4H3,(H,34,35)