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

Systemtic Name: 2-[5-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-[5-bromo-1-(carboxymethyl)-3-indolyl]-2-[4-(2-pyridinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[5-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyridyl)piperazino]acetic acid Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(C3=CN(C4=C3C=C(C=C4)Br)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(C3=CN(C4=C3C=C(C=C4)Br)CC(=O)O)C(=O)O

InChI

InChI=1S/C21H21BrN4O4/c22-14-4-5-17-15(11-14)16(12-26(17)13-19(27)28)20(21(29)30)25-9-7-24(8-10-25)18-3-1-2-6-23-18/h1-6,11-12,20H,7-10,13H2,(H,27,28)(H,29,30)