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

Systemtic Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(3-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(3-pyridinylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(3-pyridylmethyl)piperazino]acetic acid Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H26N4O2/c31-26(32)25(30-15-13-29(14-16-30)18-19-7-6-12-27-17-19)23-21-10-4-5-11-22(21)28-24(23)20-8-2-1-3-9-20/h1-12,17,25,28H,13-16,18H2,(H,31,32)