methyl 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoate

Systemtic Name: methyl 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoate Openeye Name: methyl 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoate CAS Name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanoate Traditional Name: 4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butyric acid methyl ester Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O2/c1-26-19(25)20(13-24-15-22-14-23-24,17-5-3-2-4-6-17)12-11-16-7-9-18(21)10-8-16/h2-10,14-15H,11-13H2,1H3