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

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-2-[6-(hydroxymethyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-[6-(hydroxymethyl)-1H-indol-3-yl]acetic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-2-[6-(hydroxymethyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-2-[6-(hydroxymethyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-(4-acetylpiperazino)-2-(6-methylol-1H-indol-3-yl)acetic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)CO)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CNC3=C2C=CC(=C3)CO)C(=O)O

InChI

InChI=1S/C17H21N3O4/c1-11(22)19-4-6-20(7-5-19)16(17(23)24)14-9-18-15-8-12(10-21)2-3-13(14)15/h2-3,8-9,16,18,21H,4-7,10H2,1H3,(H,23,24)