tert-butyl 3-(2-azidoethanoyl)-5-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-azidoethanoyl)-5-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 3-(2-azidoacetyl)-5-benzyloxy-indole-1-carboxylate CAS Name: 3-(2-azido-1-oxoethyl)-5-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-azidoacetyl)-5-phenylmethoxyindole-1-carboxylate Traditional Name: 3-(2-azidoacetyl)-5-benzoxy-indole-1-carboxylic acid tert-butyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C(=O)CN=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C(=O)CN=[N+]=[N-]

InChI

InChI=1S/C22H22N4O4/c1-22(2,3)30-21(28)26-13-18(20(27)12-24-25-23)17-11-16(9-10-19(17)26)29-14-15-7-5-4-6-8-15/h4-11,13H,12,14H2,1-3H3