2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-[6-(hydroxymethyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-[6-(hydroxymethyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-2-[6-(hydroxymethyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-[6-(hydroxymethyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-[6-(hydroxymethyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-(3-cyano-2-pyridyl)piperazino]-2-(6-methylol-1H-indol-3-yl)acetic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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