2-[1-(carboxymethyl)-6-fluoranyl-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-6-fluoranyl-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-6-fluoro-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-6-fluoro-3-indolyl]-2-(4-methyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)-6-fluoroindol-3-yl]-2-(4-methylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)-6-fluoro-indol-3-yl]-2-(4-methylpiperazino)acetic acid Formula: C17H20FN3O4 MolecularWeight: 349.356803

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)F)CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)F)CC(=O)O)C(=O)O

InChI

InChI=1S/C17H20FN3O4/c1-19-4-6-20(7-5-19)16(17(24)25)13-9-21(10-15(22)23)14-8-11(18)2-3-12(13)14/h2-3,8-9,16H,4-7,10H2,1H3,(H,22,23)(H,24,25)