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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=NN=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H23N3O2/c1-3-4-9-20-23-22-15-24(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)21(25)26-2/h5-8,10-13,15H,3-4,9,14H2,1-2H3