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

Systemtic Name: 4-chloranyl-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-indole-2-carboxylic acid CAS Name: 4-chloro-1-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl]-2-indolecarboxylic acid IUPAC Name: 4-chloro-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-indole-2-carboxylic acid Formula: C17H21ClN2O4 MolecularWeight: 352.81264

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OC(C)(C)C)N1C2=C(C=C1C(=O)O)C(=CC=C2)Cl

Isomeric SMILES

CC(CNC(=O)OC(C)(C)C)N1C2=C(C=C1C(=O)O)C(=CC=C2)Cl

InChI

InChI=1S/C17H21ClN2O4/c1-10(9-19-16(23)24-17(2,3)4)20-13-7-5-6-12(18)11(13)8-14(20)15(21)22/h5-8,10H,9H2,1-4H3,(H,19,23)(H,21,22)