tert-butyl 4-chloranyl-3-(hydroxymethyl)indole-1-carboxylate

Systemtic Name: tert-butyl 4-chloranyl-3-(hydroxymethyl)indole-1-carboxylate Openeye Name: tert-butyl 4-chloro-3-(hydroxymethyl)indole-1-carboxylate CAS Name: 4-chloro-3-(hydroxymethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-3-(hydroxymethyl)indole-1-carboxylate Traditional Name: 4-chloro-3-methylol-indole-1-carboxylic acid tert-butyl ester Formula: C14H16ClNO3 MolecularWeight: 281.73474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Cl)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Cl)CO

InChI

InChI=1S/C14H16ClNO3/c1-14(2,3)19-13(18)16-7-9(8-17)12-10(15)5-4-6-11(12)16/h4-7,17H,8H2,1-3H3