(phenylmethyl) 4-(1,2,4-triazol-1-yl)butanoate

Systemtic Name: (phenylmethyl) 4-(1,2,4-triazol-1-yl)butanoate Openeye Name: benzyl 4-(1,2,4-triazol-1-yl)butanoate CAS Name: 4-(1,2,4-triazol-1-yl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(1,2,4-triazol-1-yl)butanoate Traditional Name: 4-(1,2,4-triazol-1-yl)butyric acid benzyl ester Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCN2C=NC=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCN2C=NC=N2

InChI

InChI=1S/C13H15N3O2/c17-13(7-4-8-16-11-14-10-15-16)18-9-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2