[(1S,2S,3R)-1-(4-chlorophenyl)-2-methyl-3-oxidanyl-pentyl] 4-chloranylbenzoate

Systemtic Name: [(1S,2S,3R)-1-(4-chlorophenyl)-2-methyl-3-oxidanyl-pentyl] 4-chloranylbenzoate Openeye Name: [(1S,2S,3R)-1-(4-chlorophenyl)-3-hydroxy-2-methyl-pentyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(1S,2S,3R)-1-(4-chlorophenyl)-3-hydroxy-2-methylpentyl] ester IUPAC Name: [(1S,2S,3R)-1-(4-chlorophenyl)-3-hydroxy-2-methylpentyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S,2S,3R)-1-(4-chlorophenyl)-3-hydroxy-2-methyl-pentyl] ester Formula: C19H20Cl2O3 MolecularWeight: 367.2663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C1=CC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC[C@H]([C@H](C)[C@@H](C1=CC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C19H20Cl2O3/c1-3-17(22)12(2)18(13-4-8-15(20)9-5-13)24-19(23)14-6-10-16(21)11-7-14/h4-12,17-18,22H,3H2,1-2H3/t12-,17+,18-/m0/s1