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

Systemtic Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid CAS Name: 2-[1-(carboxymethyl)-3-indolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)indol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[1-(carboxymethyl)indol-3-yl]-2-[4-(2-pyrimidyl)piperazino]acetic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c26-17(27)13-25-12-15(14-4-1-2-5-16(14)25)18(19(28)29)23-8-10-24(11-9-23)20-21-6-3-7-22-20/h1-7,12,18H,8-11,13H2,(H,26,27)(H,28,29)