methyl 2-tert-butyl-3-[5-butyl-3-(methoxymethyl)-1-phenyl-pyrazol-4-yl]-6-phenyl-benzoate

Systemtic Name: methyl 2-tert-butyl-3-[5-butyl-3-(methoxymethyl)-1-phenyl-pyrazol-4-yl]-6-phenyl-benzoate Openeye Name: methyl 2-tert-butyl-3-[5-butyl-3-(methoxymethyl)-1-phenyl-pyrazol-4-yl]-6-phenyl-benzoate CAS Name: 2-tert-butyl-3-[5-butyl-3-(methoxymethyl)-1-phenyl-4-pyrazolyl]-6-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-tert-butyl-3-[5-butyl-3-(methoxymethyl)-1-phenylpyrazol-4-yl]-6-phenylbenzoate Traditional Name: 2-tert-butyl-3-[5-butyl-3-(methoxymethyl)-1-phenyl-pyrazol-4-yl]-6-phenyl-benzoic acid methyl ester Formula: C33H38N2O3 MolecularWeight: 510.66642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1C2=CC=CC=C2)COC)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)OC)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=NN1C2=CC=CC=C2)COC)C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C33H38N2O3/c1-7-8-19-28-29(27(22-37-5)34-35(28)24-17-13-10-14-18-24)26-21-20-25(23-15-11-9-12-16-23)30(32(36)38-6)31(26)33(2,3)4/h9-18,20-21H,7-8,19,22H2,1-6H3