ethyl 6-bromanyl-2-methyl-5-(1,3,4-oxadiazol-2-ylmethoxy)-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-methyl-5-(1,3,4-oxadiazol-2-ylmethoxy)-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-2-methyl-5-(1,3,4-oxadiazol-2-ylmethoxy)indole-3-carboxylate CAS Name: 6-bromo-2-methyl-5-(1,3,4-oxadiazol-2-ylmethoxy)-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-2-methyl-5-(1,3,4-oxadiazol-2-ylmethoxy)indole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-2-methyl-5-(1,3,4-oxadiazol-2-ylmethoxy)indole-3-carboxylic acid ethyl ester Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC3=NN=CO3)Br)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC3=NN=CO3)Br)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H20BrN3O4/c1-3-28-22(27)21-14(2)26(11-15-7-5-4-6-8-15)18-10-17(23)19(9-16(18)21)29-12-20-25-24-13-30-20/h4-10,13H,3,11-12H2,1-2H3