(phenylmethyl) 2-[[(2S,3S)-3-(2,4-dichlorophenyl)-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(2S,3S)-3-(2,4-dichlorophenyl)-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]amino]ethanoate Openeye Name: benzyl 2-[[(1S,2S)-2-(2,4-dichlorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]amino]acetate CAS Name: 2-[[(2S,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S,3S)-3-(2,4-dichlorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]amino]acetate Traditional Name: 2-[[(1S,2S)-2-(2,4-dichlorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]amino]acetic acid benzyl ester Formula: C21H22Cl2N4O3 MolecularWeight: 449.33038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@](CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22Cl2N4O3/c1-15(25-10-20(28)30-11-16-5-3-2-4-6-16)21(29,12-27-14-24-13-26-27)18-8-7-17(22)9-19(18)23/h2-9,13-15,25,29H,10-12H2,1H3/t15-,21-/m0/s1