4-chloranyl-7-fluoranyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid

Systemtic Name: 4-chloranyl-7-fluoranyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]-4-chloro-7-fluoro-indole-2-carboxylic acid CAS Name: 4-chloro-7-fluoro-1-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl]-2-indolecarboxylic acid IUPAC Name: 4-chloro-7-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]-4-chloro-7-fluoro-indole-2-carboxylic acid Formula: C17H20ClFN2O4 MolecularWeight: 370.803103

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(C)(C)C)N1C(=CC2=C(C=CC(=C21)F)Cl)C(=O)O

Isomeric SMILES

CC(CNC(=O)OC(C)(C)C)N1C(=CC2=C(C=CC(=C21)F)Cl)C(=O)O

InChI

InChI=1S/C17H20ClFN2O4/c1-9(8-20-16(24)25-17(2,3)4)21-13(15(22)23)7-10-11(18)5-6-12(19)14(10)21/h5-7,9H,8H2,1-4H3,(H,20,24)(H,22,23)