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

Systemtic Name: 6-chloranyl-7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]-6-chloro-7-methyl-indole-2-carboxylic acid CAS Name: 6-chloro-7-methyl-1-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl]-2-indolecarboxylic acid IUPAC Name: 6-chloro-7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-1-methyl-ethyl]-6-chloro-7-methyl-indole-2-carboxylic acid Formula: C18H23ClN2O4 MolecularWeight: 366.83922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=C2)C(=O)O)C(C)CNC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=C2)C(=O)O)C(C)CNC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C18H23ClN2O4/c1-10(9-20-17(24)25-18(3,4)5)21-14(16(22)23)8-12-6-7-13(19)11(2)15(12)21/h6-8,10H,9H2,1-5H3,(H,20,24)(H,22,23)