tert-butyl 2-(2-chloranylquinolin-3-yl)-5-(hydroxymethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(2-chloranylquinolin-3-yl)-5-(hydroxymethyl)indole-1-carboxylate Openeye Name: tert-butyl 2-(2-chloro-3-quinolyl)-5-(hydroxymethyl)indole-1-carboxylate CAS Name: 2-(2-chloro-3-quinolinyl)-5-(hydroxymethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloroquinolin-3-yl)-5-(hydroxymethyl)indole-1-carboxylate Traditional Name: 2-(2-chloro-3-quinolyl)-5-methylol-indole-1-carboxylic acid tert-butyl ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CO)C=C1C3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CO)C=C1C3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C23H21ClN2O3/c1-23(2,3)29-22(28)26-19-9-8-14(13-27)10-16(19)12-20(26)17-11-15-6-4-5-7-18(15)25-21(17)24/h4-12,27H,13H2,1-3H3