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

Systemtic Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(2-phenyl-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazino]acetic acid Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=NC=C2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=NC=C2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H28N4O2/c32-27(33)26(31-18-16-30(17-19-31)15-12-20-10-13-28-14-11-20)24-22-8-4-5-9-23(22)29-25(24)21-6-2-1-3-7-21/h1-11,13-14,26,29H,12,15-19H2,(H,32,33)