2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-2-(1H-indol-3-yl)acetic acid Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(C2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C(C2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H20N4O2/c18-6-3-7-20-8-10-21(11-9-20)16(17(22)23)14-12-19-15-5-2-1-4-13(14)15/h1-2,4-5,12,16,19H,3,7-11H2,(H,22,23)