2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazin-1-yl)acetic acid CAS Name: 2-[5-bromo-1-(carboxymethyl)-3-indolyl]-2-(4-methyl-1-piperazinyl)acetic acid IUPAC Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazin-1-yl)acetic acid Traditional Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-methylpiperazino)acetic acid Formula: C17H20BrN3O4 MolecularWeight: 410.2624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O

InChI

InChI=1S/C17H20BrN3O4/c1-19-4-6-20(7-5-19)16(17(24)25)13-9-21(10-15(22)23)14-3-2-11(18)8-12(13)14/h2-3,8-9,16H,4-7,10H2,1H3,(H,22,23)(H,24,25)