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

Systemtic Name: 2-(1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(1H-indol-3-yl)-2-[4-(3-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-(3-pyridinylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-[4-(3-pyridylmethyl)piperazino]acetic acid Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H22N4O2/c25-20(26)19(17-13-22-18-6-2-1-5-16(17)18)24-10-8-23(9-11-24)14-15-4-3-7-21-12-15/h1-7,12-13,19,22H,8-11,14H2,(H,25,26)