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

Systemtic Name: 2-[5-(cyanomethoxy)-1H-indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanoic acid Openeye Name: 2-[5-(cyanomethoxy)-1H-indol-3-yl]-2-[4-(2-pyridyl)piperazin-1-yl]acetic acid CAS Name: 2-[5-(cyanomethoxy)-1H-indol-3-yl]-2-[4-(2-pyridinyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[5-(cyanomethoxy)-1H-indol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid Traditional Name: 2-[5-(cyanomethoxy)-1H-indol-3-yl]-2-[4-(2-pyridyl)piperazino]acetic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(C3=CNC4=C3C=C(C=C4)OCC#N)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(C3=CNC4=C3C=C(C=C4)OCC#N)C(=O)O

InChI

InChI=1S/C21H21N5O3/c22-6-12-29-15-4-5-18-16(13-15)17(14-24-18)20(21(27)28)26-10-8-25(9-11-26)19-3-1-2-7-23-19/h1-5,7,13-14,20,24H,8-12H2,(H,27,28)