tert-butyl 2-(6-chloranyl-1H-indazol-3-yl)-5-(hydroxymethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(6-chloranyl-1H-indazol-3-yl)-5-(hydroxymethyl)indole-1-carboxylate Openeye Name: tert-butyl 2-(6-chloro-1H-indazol-3-yl)-5-(hydroxymethyl)indole-1-carboxylate CAS Name: 2-(6-chloro-1H-indazol-3-yl)-5-(hydroxymethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloro-1H-indazol-3-yl)-5-(hydroxymethyl)indole-1-carboxylate Traditional Name: 2-(6-chloro-1H-indazol-3-yl)-5-methylol-indole-1-carboxylic acid tert-butyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CO)C=C1C3=NNC4=C3C=CC(=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CO)C=C1C3=NNC4=C3C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-21(2,3)28-20(27)25-17-7-4-12(11-26)8-13(17)9-18(25)19-15-6-5-14(22)10-16(15)23-24-19/h4-10,26H,11H2,1-3H3,(H,23,24)