tert-butyl 3-bromanyl-1-methyl-5-phenylmethoxy-indole-2-carboxylate

Systemtic Name: tert-butyl 3-bromanyl-1-methyl-5-phenylmethoxy-indole-2-carboxylate Openeye Name: tert-butyl 5-benzyloxy-3-bromo-1-methyl-indole-2-carboxylate CAS Name: 3-bromo-1-methyl-5-phenylmethoxy-2-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-1-methyl-5-phenylmethoxyindole-2-carboxylate Traditional Name: 5-benzoxy-3-bromo-1-methyl-indole-2-carboxylic acid tert-butyl ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=C(N1C)C=CC(=C2)OCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=C(N1C)C=CC(=C2)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C21H22BrNO3/c1-21(2,3)26-20(24)19-18(22)16-12-15(10-11-17(16)23(19)4)25-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3