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

Systemtic Name: tert-butyl 4-bromanyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 4-bromo-3-[2-(tert-butoxycarbonylamino)ethyl]indole-1-carboxylate CAS Name: 4-bromo-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-bromo-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-1-carboxylate Traditional Name: 4-bromo-3-[2-(tert-butoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C20H27BrN2O4 MolecularWeight: 439.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CN(C2=C1C(=CC=C2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CN(C2=C1C(=CC=C2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27BrN2O4/c1-19(2,3)26-17(24)22-11-10-13-12-23(18(25)27-20(4,5)6)15-9-7-8-14(21)16(13)15/h7-9,12H,10-11H2,1-6H3,(H,22,24)