(2-methoxy-5-methyl-phenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H17N3O3/c1-13-3-8-17(23-2)15(9-13)10-24-18(22)14-4-6-16(7-5-14)21-12-19-11-20-21/h3-9,11-12H,10H2,1-2H3