4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-3-methyl-7-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-3-methyl-7-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-7-hydroxy-3-methyl-1H-indole-2-carboxylic acid CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-3-methyl-1H-indole-2-carboxylic acid IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-3-methyl-1H-indole-2-carboxylic acid Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-7-hydroxy-3-methyl-1H-indole-2-carboxylic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C(C=CC(=C12)C(CNC(C)(C)C)O)O)C(=O)O

Isomeric SMILES

CC1=C(NC2=C(C=CC(=C12)C(CNC(C)(C)C)O)O)C(=O)O

InChI

InChI=1S/C16H22N2O4/c1-8-12-9(11(20)7-17-16(2,3)4)5-6-10(19)14(12)18-13(8)15(21)22/h5-6,11,17-20H,7H2,1-4H3,(H,21,22)