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

Systemtic Name: 2-[1-(carboxymethyl)-6-fluoranyl-indol-3-yl]-2-(4-phenylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-6-fluoro-indol-3-yl]-2-(4-phenylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-6-fluoro-3-indolyl]-2-(4-phenyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)-6-fluoroindol-3-yl]-2-(4-phenylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)-6-fluoro-indol-3-yl]-2-(4-phenylpiperazino)acetic acid Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(C3=CN(C4=C3C=CC(=C4)F)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(C3=CN(C4=C3C=CC(=C4)F)CC(=O)O)C(=O)O

InChI

InChI=1S/C22H22FN3O4/c23-15-6-7-17-18(13-26(14-20(27)28)19(17)12-15)21(22(29)30)25-10-8-24(9-11-25)16-4-2-1-3-5-16/h1-7,12-13,21H,8-11,14H2,(H,27,28)(H,29,30)