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

Systemtic Name: methyl 2-[4-[(3,5-dibutyl-1,2,4-triazol-4-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(3,5-dibutyl-1,2,4-triazol-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3,5-dibutyl-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3,5-dibutyl-1,2,4-triazol-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3,5-dibutyl-1,2,4-triazol-4-yl)methyl]phenyl]benzoic acid methyl ester Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CCCC

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)CCCC

InChI

InChI=1S/C25H31N3O2/c1-4-6-12-23-26-27-24(13-7-5-2)28(23)18-19-14-16-20(17-15-19)21-10-8-9-11-22(21)25(29)30-3/h8-11,14-17H,4-7,12-13,18H2,1-3H3