2-[5-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-6-iodanyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-chloranyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-6-iodanyl-quinoline-4-carboxylic acid Openeye Name: 2-(1-tert-butoxycarbonyl-5-chloro-indol-3-yl)-6-iodo-quinoline-4-carboxylic acid CAS Name: 2-[5-chloro-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]-6-iodo-4-quinolinecarboxylic acid IUPAC Name: 2-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-6-iodoquinoline-4-carboxylic acid Traditional Name: 2-(1-tert-butoxycarbonyl-5-chloro-indol-3-yl)-6-iodo-cinchoninic acid Formula: C23H18ClIN2O4 MolecularWeight: 548.75749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Cl)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Cl)C3=NC4=C(C=C(C=C4)I)C(=C3)C(=O)O

InChI

InChI=1S/C23H18ClIN2O4/c1-23(2,3)31-22(30)27-11-17(15-8-12(24)4-7-20(15)27)19-10-16(21(28)29)14-9-13(25)5-6-18(14)26-19/h4-11H,1-3H3,(H,28,29)