[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C20H17ClN2O5/c1-11-3-5-13(6-4-11)19-23-22-18(28-19)12(2)27-20(24)14-9-15(21)17-16(10-14)25-7-8-26-17/h3-6,9-10,12H,7-8H2,1-2H3/t12-/m0/s1