[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methyl 3-methyl-5-(4-propan-2-ylpyridin-3-yl)benzoate

Systemtic Name: [5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]methyl 3-methyl-5-(4-propan-2-ylpyridin-3-yl)benzoate Openeye Name: [5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl 3-(4-isopropyl-3-pyridyl)-5-methyl-benzoate CAS Name: 3-methyl-5-(4-propan-2-yl-3-pyridinyl)benzoic acid [5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl ester IUPAC Name: [5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl 3-methyl-5-(4-propan-2-ylpyridin-3-yl)benzoate Traditional Name: 3-(4-isopropyl-3-pyridyl)-5-methyl-benzoic acid [5-chloro-2-(1,2,4-triazol-1-yl)benzyl] ester Formula: C25H23ClN4O2 MolecularWeight: 446.92872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=C(C=CN=C4)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=C(C=CN=C4)C(C)C

InChI

InChI=1S/C25H23ClN4O2/c1-16(2)22-6-7-27-12-23(22)18-8-17(3)9-19(10-18)25(31)32-13-20-11-21(26)4-5-24(20)30-15-28-14-29-30/h4-12,14-16H,13H2,1-3H3