2-[1-(carboxymethyl)indol-3-yl]-2-(4-ethanoylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-ethanoylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-2-[1-(carboxymethyl)indol-3-yl]acetic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-2-[1-(carboxymethyl)-3-indolyl]acetic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-2-[1-(carboxymethyl)indol-3-yl]acetic acid Traditional Name: 2-(4-acetylpiperazino)-2-[1-(carboxymethyl)indol-3-yl]acetic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O

InChI

InChI=1S/C18H21N3O5/c1-12(22)19-6-8-20(9-7-19)17(18(25)26)14-10-21(11-16(23)24)15-5-3-2-4-13(14)15/h2-5,10,17H,6-9,11H2,1H3,(H,23,24)(H,25,26)