[(1R)-1-(1,2,4-triazol-1-yl)ethyl] 4-methoxybenzoate

Systemtic Name: [(1R)-1-(1,2,4-triazol-1-yl)ethyl] 4-methoxybenzoate Openeye Name: [(1R)-1-(1,2,4-triazol-1-yl)ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1R)-1-(1,2,4-triazol-1-yl)ethyl] ester IUPAC Name: [(1R)-1-(1,2,4-triazol-1-yl)ethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1R)-1-(1,2,4-triazol-1-yl)ethyl] ester Formula: C12H13N3O3 MolecularWeight: 247.24992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC=N1)OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](N1C=NC=N1)OC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C12H13N3O3/c1-9(15-8-13-7-14-15)18-12(16)10-3-5-11(17-2)6-4-10/h3-9H,1-2H3/t9-/m1/s1