2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(2-thienylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[6-(hydroxymethyl)-1H-indol-3-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-methylol-1H-indol-3-yl)-2-[4-(2-thenyl)piperazino]acetic acid Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(C3=CNC4=C3C=CC(=C4)CO)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(C3=CNC4=C3C=CC(=C4)CO)C(=O)O

InChI

InChI=1S/C20H23N3O3S/c24-13-14-3-4-16-17(11-21-18(16)10-14)19(20(25)26)23-7-5-22(6-8-23)12-15-2-1-9-27-15/h1-4,9-11,19,21,24H,5-8,12-13H2,(H,25,26)