tert-butyl 2-methyl-5-oxidanyl-indole-1-carboxylate; ethanoic acid

Systemtic Name: tert-butyl 2-methyl-5-oxidanyl-indole-1-carboxylate; ethanoic acid Openeye Name: acetic acid; tert-butyl 5-hydroxy-2-methyl-indole-1-carboxylate CAS Name: acetic acid; 5-hydroxy-2-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: acetic acid; tert-butyl 5-hydroxy-2-methylindole-1-carboxylate Traditional Name: acetic acid; 5-hydroxy-2-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)O.CC(=O)O

Isomeric SMILES

CC1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)O.CC(=O)O

InChI

InChI=1S/C14H17NO3.C2H4O2/c1-9-7-10-8-11(16)5-6-12(10)15(9)13(17)18-14(2,3)4;1-2(3)4/h5-8,16H,1-4H3;1H3,(H,3,4)