tert-butyl 3-(2,2-dideuterio-2-oxidanyl-ethyl)-2-methyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2,2-dideuterio-2-oxidanyl-ethyl)-2-methyl-indole-1-carboxylate Openeye Name: tert-butyl 3-(2,2-dideuterio-2-hydroxy-ethyl)-2-methyl-indole-1-carboxylate CAS Name: 3-(2,2-dideuterio-2-hydroxyethyl)-2-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2,2-dideuterio-2-hydroxyethyl)-2-methylindole-1-carboxylate Traditional Name: 3-(2,2-dideuterio-2-hydroxy-ethyl)-2-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C16H21NO3 MolecularWeight: 277.355164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)CCO

Isomeric SMILES

[2H]C([2H])(CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)C)O

InChI

InChI=1S/C16H21NO3/c1-11-12(9-10-18)13-7-5-6-8-14(13)17(11)15(19)20-16(2,3)4/h5-8,18H,9-10H2,1-4H3/i10D2