2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid

Systemtic Name: 2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-[4-(2-pyrimidyl)piperazino]acetic acid Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C18H19N5O2/c24-17(25)16(14-12-21-15-5-2-1-4-13(14)15)22-8-10-23(11-9-22)18-19-6-3-7-20-18/h1-7,12,16,21H,8-11H2,(H,24,25)