(3-propan-2-ylphenyl) 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (3-propan-2-ylphenyl) 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (3-isopropylphenyl) 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid m-cumenyl ester Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H17N3O2/c1-13(2)15-4-3-5-17(10-15)23-18(22)14-6-8-16(9-7-14)21-12-19-11-20-21/h3-13H,1-2H3