tert-butyl 5-chloranyl-3-[4-(hydroxymethyl)-6-iodanyl-quinolin-2-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-chloranyl-3-[4-(hydroxymethyl)-6-iodanyl-quinolin-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-chloro-3-[4-(hydroxymethyl)-6-iodo-2-quinolyl]indole-1-carboxylate CAS Name: 5-chloro-3-[4-(hydroxymethyl)-6-iodo-2-quinolinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-chloro-3-[4-(hydroxymethyl)-6-iodoquinolin-2-yl]indole-1-carboxylate Traditional Name: 5-chloro-3-(6-iodo-4-methylol-2-quinolyl)indole-1-carboxylic acid tert-butyl ester Formula: C23H20ClIN2O3 MolecularWeight: 534.77397

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClIN2O3/c1-23(2,3)30-22(29)27-11-18(17-9-14(24)4-7-21(17)27)20-8-13(12-28)16-10-15(25)5-6-19(16)26-20/h4-11,28H,12H2,1-3H3