2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-[1-(carboxymethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-[1-(carboxymethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-[1-(carboxymethyl)indol-3-yl]acetic acid CAS Name: 2-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-[1-(carboxymethyl)-3-indolyl]acetic acid IUPAC Name: 2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-[1-(carboxymethyl)indol-3-yl]acetic acid Traditional Name: 2-[4-(5-bromopyrimidin-2-yl)piperazino]-2-[1-(carboxymethyl)indol-3-yl]acetic acid Formula: C20H20BrN5O4 MolecularWeight: 474.3079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=N2)Br)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=N2)Br)C(C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)O

InChI

InChI=1S/C20H20BrN5O4/c21-13-9-22-20(23-10-13)25-7-5-24(6-8-25)18(19(29)30)15-11-26(12-17(27)28)16-4-2-1-3-14(15)16/h1-4,9-11,18H,5-8,12H2,(H,27,28)(H,29,30)