2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)ethyl 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid 2-(3-methyl-4-propan-2-ylphenoxy)ethyl ester IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)ethyl 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid 2-(4-isopropyl-3-methyl-phenoxy)ethyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)CN3C=NC=N3)C(C)C

InChI

InChI=1S/C22H25N3O3/c1-16(2)21-9-8-20(12-17(21)3)27-10-11-28-22(26)19-6-4-18(5-7-19)13-25-15-23-14-24-25/h4-9,12,14-16H,10-11,13H2,1-3H3