4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-methyl-1H-indol-7-ol; ethanoic acid

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-methyl-1H-indol-7-ol; ethanoic acid Openeye Name: acetic acid; 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methyl-1H-indol-7-ol CAS Name: acetic acid; 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methyl-1H-indol-7-ol IUPAC Name: acetic acid; 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methyl-1H-indol-7-ol Traditional Name: acetic acid; 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methyl-1H-indol-7-ol Formula: C17H26N2O4 MolecularWeight: 322.39934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC(=C2N1)O)C(CNC(C)(C)C)O.CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC(=C2N1)O)C(CNC(C)(C)C)O.CC(=O)O

InChI

InChI=1S/C15H22N2O2.C2H4O2/c1-9-7-11-10(5-6-12(18)14(11)17-9)13(19)8-16-15(2,3)4;1-2(3)4/h5-7,13,16-19H,8H2,1-4H3;1H3,(H,3,4)