ethyl 5-(4-chlorophenyl)-2,2-dimethyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)pentanoate

Systemtic Name: ethyl 5-(4-chlorophenyl)-2,2-dimethyl-3-oxidanyl-4-(1,2,4-triazol-1-yl)pentanoate Openeye Name: ethyl 5-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentanoate CAS Name: 5-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentanoate Traditional Name: 5-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-4-(1,2,4-triazol-1-yl)valeric acid ethyl ester Formula: C17H22ClN3O3 MolecularWeight: 351.82788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O

Isomeric SMILES

CCOC(=O)C(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O

InChI

InChI=1S/C17H22ClN3O3/c1-4-24-16(23)17(2,3)15(22)14(21-11-19-10-20-21)9-12-5-7-13(18)8-6-12/h5-8,10-11,14-15,22H,4,9H2,1-3H3