2-[5,7-bis(fluoranyl)-2-methyl-1H-indol-3-yl]ethanamine; ethanedioic acid; hydrate

Systemtic Name: 2-[5,7-bis(fluoranyl)-2-methyl-1H-indol-3-yl]ethanamine; ethanedioic acid; hydrate Openeye Name: 2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethanamine; oxalic acid; hydrate CAS Name: 2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethanamine; oxalic acid; hydrate IUPAC Name: 2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethanamine; oxalic acid; hydrate Traditional Name: 2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethylamine; oxalic acid; hydrate Formula: C13H16F2N2O5 MolecularWeight: 318.273346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CC(=C2N1)F)F)CCN.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC1=C(C2=CC(=CC(=C2N1)F)F)CCN.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C11H12F2N2.C2H2O4.H2O/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6;3-1(4)2(5)6;/h4-5,15H,2-3,14H2,1H3;(H,3,4)(H,5,6);1H2