tert-butyl 6-bromanyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-phenylmethoxy-indole-1-carboxylate

Systemtic Name: tert-butyl 6-bromanyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-phenylmethoxy-indole-1-carboxylate Openeye Name: tert-butyl 4-benzyloxy-6-bromo-3-[2-(tert-butoxycarbonylamino)ethyl]indole-1-carboxylate CAS Name: 6-bromo-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-4-phenylmethoxy-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-bromo-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-phenylmethoxyindole-1-carboxylate Traditional Name: 4-benzoxy-6-bromo-3-[2-(tert-butoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C27H33BrN2O5 MolecularWeight: 545.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CN(C2=CC(=CC(=C21)OCC3=CC=CC=C3)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CN(C2=CC(=CC(=C21)OCC3=CC=CC=C3)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33BrN2O5/c1-26(2,3)34-24(31)29-13-12-19-16-30(25(32)35-27(4,5)6)21-14-20(28)15-22(23(19)21)33-17-18-10-8-7-9-11-18/h7-11,14-16H,12-13,17H2,1-6H3,(H,29,31)