tert-butyl 5-bromanyl-3-methanoyl-4-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-methanoyl-4-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 4-benzyloxy-5-bromo-3-formyl-indole-1-carboxylate CAS Name: 5-bromo-3-formyl-4-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-formyl-4-phenylmethoxyindole-1-carboxylate Traditional Name: 4-benzoxy-5-bromo-3-formyl-indole-1-carboxylic acid tert-butyl ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2OCC3=CC=CC=C3)Br)C=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2OCC3=CC=CC=C3)Br)C=O

InChI

InChI=1S/C21H20BrNO4/c1-21(2,3)27-20(25)23-11-15(12-24)18-17(23)10-9-16(22)19(18)26-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3