methyl 3-[5-butyl-3-(2-methylphenyl)-1,2,3-triazol-4-yl]benzoate

Systemtic Name: methyl 3-[5-butyl-3-(2-methylphenyl)-1,2,3-triazol-4-yl]benzoate Openeye Name: methyl 3-[5-butyl-3-(o-tolyl)triazol-4-yl]benzoate CAS Name: 3-[5-butyl-3-(2-methylphenyl)-4-triazolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[5-butyl-3-(2-methylphenyl)triazol-4-yl]benzoate Traditional Name: 3-[5-butyl-3-(o-tolyl)triazol-4-yl]benzoic acid methyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N=N1)C2=CC=CC=C2C)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C(N(N=N1)C2=CC=CC=C2C)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O2/c1-4-5-12-18-20(16-10-8-11-17(14-16)21(25)26-3)24(23-22-18)19-13-7-6-9-15(19)2/h6-11,13-14H,4-5,12H2,1-3H3