methyl 2-[4-[(3,5-dibutyl-2H-1,2,3-triazol-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(3,5-dibutyl-2H-1,2,3-triazol-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(3,5-dibutyl-2H-triazol-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3,5-dibutyl-2H-triazol-1-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3,5-dibutyl-2H-triazol-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3,5-dibutyl-2H-triazol-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CCCC

Isomeric SMILES

CCCCC1=CN(NN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CCCC

InChI

InChI=1S/C25H33N3O2/c1-4-6-10-22-19-27(17-7-5-2)26-28(22)18-20-13-15-21(16-14-20)23-11-8-9-12-24(23)25(29)30-3/h8-9,11-16,19,26H,4-7,10,17-18H2,1-3H3