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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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