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

Systemtic Name: 2-[1-(carboxymethyl)-6-fluoranyl-indol-3-yl]-2-(4-methanoylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-6-fluoro-indol-3-yl]-2-(4-formylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-6-fluoro-3-indolyl]-2-(4-formyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)-6-fluoroindol-3-yl]-2-(4-formylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)-6-fluoro-indol-3-yl]-2-(4-formylpiperazino)acetic acid Formula: C17H18FN3O5 MolecularWeight: 363.340323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(C2=CN(C3=C2C=CC(=C3)F)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C=O)C(C2=CN(C3=C2C=CC(=C3)F)CC(=O)O)C(=O)O

InChI

InChI=1S/C17H18FN3O5/c18-11-1-2-12-13(8-21(9-15(23)24)14(12)7-11)16(17(25)26)20-5-3-19(10-22)4-6-20/h1-2,7-8,10,16H,3-6,9H2,(H,23,24)(H,25,26)