2-(6-fluoranyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-fluoranyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid CAS Name: 2-(6-fluoro-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzylpiperazino)-2-(6-fluoro-1H-indol-3-yl)acetic acid Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(C3=CNC4=C3C=CC(=C4)F)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(C3=CNC4=C3C=CC(=C4)F)C(=O)O

InChI

InChI=1S/C21H22FN3O2/c22-16-6-7-17-18(13-23-19(17)12-16)20(21(26)27)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-7,12-13,20,23H,8-11,14H2,(H,26,27)