1-[2-(tert-butylamino)ethyl]-4,7-bis(oxidanyl)indole-2-carboxamide; ethanoic acid

Systemtic Name: 1-[2-(tert-butylamino)ethyl]-4,7-bis(oxidanyl)indole-2-carboxamide; ethanoic acid Openeye Name: acetic acid; 1-[2-(tert-butylamino)ethyl]-4,7-dihydroxy-indole-2-carboxamide CAS Name: acetic acid; 1-[2-(tert-butylamino)ethyl]-4,7-dihydroxy-2-indolecarboxamide IUPAC Name: acetic acid; 1-[2-(tert-butylamino)ethyl]-4,7-dihydroxyindole-2-carboxamide Traditional Name: acetic acid; 1-[2-(tert-butylamino)ethyl]-4,7-dihydroxy-indole-2-carboxamide Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(C)NCCN1C(=CC2=C(C=CC(=C21)O)O)C(=O)N

Isomeric SMILES

CC(=O)O.CC(C)(C)NCCN1C(=CC2=C(C=CC(=C21)O)O)C(=O)N

InChI

InChI=1S/C15H21N3O3.C2H4O2/c1-15(2,3)17-6-7-18-10(14(16)21)8-9-11(19)4-5-12(20)13(9)18;1-2(3)4/h4-5,8,17,19-20H,6-7H2,1-3H3,(H2,16,21);1H3,(H,3,4)