[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C[C@@H](C1=NN=C(O1)C2=CC=C(C=C2)OC)OC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H17N3O5/c1-12(19-23-24-20(29-19)13-7-9-15(27-2)10-8-13)28-21(26)17-11-14-5-3-4-6-16(14)18(25)22-17/h3-12H,1-2H3,(H,22,25)/t12-/m0/s1