(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid (5-methyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(O1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H17N3O5/c1-13-22-23-18(29-13)12-28-21(27)15-7-8-16-17(11-15)20(26)24(19(16)25)10-9-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3