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

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-(4-methyl-1-piperazinyl)acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazino)acetic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CN(C3=CC=CC=C32)CC(=O)O)C(=O)O

InChI

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