2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-[6-bromanyl-1-(carboxymethyl)indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid CAS Name: 2-[6-bromo-1-(carboxymethyl)-3-indolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[6-bromo-1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyrimidyl)piperazino]acetic acid Formula: C20H20BrN5O4 MolecularWeight: 474.3079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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