2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]acetic acid CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazino]acetic acid Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=NC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=NC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C28H30N4O3/c33-28(34)27(32-16-14-31(15-17-32)13-10-21-8-11-29-12-9-21)25-19-30-26-7-6-23(18-24(25)26)35-20-22-4-2-1-3-5-22/h1-9,11-12,18-19,27,30H,10,13-17,20H2,(H,33,34)