6-bromanyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid

Systemtic Name: 6-bromanyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid Openeye Name: 6-bromo-1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]indole-2-carboxylic acid CAS Name: 6-bromo-1-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl]-2-indolecarboxylic acid IUPAC Name: 6-bromo-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid Traditional Name: 6-bromo-1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]indole-2-carboxylic acid Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(C)(C)C)N1C(=CC2=C1C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(CNC(=O)OC(C)(C)C)N1C(=CC2=C1C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H21BrN2O4/c1-10(9-19-16(23)24-17(2,3)4)20-13-8-12(18)6-5-11(13)7-14(20)15(21)22/h5-8,10H,9H2,1-4H3,(H,19,23)(H,21,22)