(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)C

InChI

InChI=1S/C20H17N3O3/c1-12-8-13(2)15-10-17(21-16(15)9-12)20(24)25-11-18-22-19(23-26-18)14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3