[(2S,4S)-2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate

Systemtic Name: [(2S,4S)-2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate Openeye Name: [(2S,4S)-2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate CAS Name: benzoic acid [(2S,4S)-2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [(2S,4S)-2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate Traditional Name: benzoic acid [(2S,4S)-2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)(CN2C=NC=N2)C3=CC=CC=C3Cl)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H](O[C@](O1)(CN2C=NC=N2)C3=CC=CC=C3Cl)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN3O4/c21-18-9-5-4-8-17(18)20(12-24-14-22-13-23-24)27-11-16(28-20)10-26-19(25)15-6-2-1-3-7-15/h1-9,13-14,16H,10-12H2/t16-,20-/m1/s1