methyl 3-(5-fluoranyl-1H-indol-3-yl)-2-(pyrrolidin-2-ylcarbonylamino)propanoate bromide

Systemtic Name: methyl 3-(5-fluoranyl-1H-indol-3-yl)-2-(pyrrolidin-2-ylcarbonylamino)propanoate bromide Openeye Name: methyl 3-(5-fluoro-1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoate bromide CAS Name: 3-(5-fluoro-1H-indol-3-yl)-2-[[oxo(2-pyrrolidinyl)methyl]amino]propanoic acid methyl ester bromide IUPAC Name: methyl 3-(5-fluoro-1H-indol-3-yl)-2-(pyrrolidine-2-carbonylamino)propanoate bromide Traditional Name: 3-(5-fluoro-1H-indol-3-yl)-2-(prolylamino)propionic acid methyl ester bromide Formula: C17H20BrFN3O3- MolecularWeight: 413.261403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=C1C=C(C=C2)F)NC(=O)C3CCCN3.[Br-]

Isomeric SMILES

COC(=O)C(CC1=CNC2=C1C=C(C=C2)F)NC(=O)C3CCCN3.[Br-]

InChI

InChI=1S/C17H20FN3O3.BrH/c1-24-17(23)15(21-16(22)14-3-2-6-19-14)7-10-9-20-13-5-4-11(18)8-12(10)13;/h4-5,8-9,14-15,19-20H,2-3,6-7H2,1H3,(H,21,22);1H/p-1