6-bromanyl-5-ethoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 6-bromanyl-5-ethoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylic acid Openeye Name: 6-bromo-1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]-5-ethoxy-pyrrolo[2,3-b]pyridine-2-carboxylic acid CAS Name: 6-bromo-5-ethoxy-1-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl]-2-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 6-bromo-5-ethoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylic acid Traditional Name: 6-bromo-1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]-5-ethoxy-pyrrolo[2,3-b]pyridine-2-carboxylic acid Formula: C18H24BrN3O5 MolecularWeight: 442.30426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=C2C(=C1)C=C(N2C(C)CNC(=O)OC(C)(C)C)C(=O)O)Br

Isomeric SMILES

CCOC1=C(N=C2C(=C1)C=C(N2C(C)CNC(=O)OC(C)(C)C)C(=O)O)Br

InChI

InChI=1S/C18H24BrN3O5/c1-6-26-13-8-11-7-12(16(23)24)22(15(11)21-14(13)19)10(2)9-20-17(25)27-18(3,4)5/h7-8,10H,6,9H2,1-5H3,(H,20,25)(H,23,24)