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

Systemtic Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazino]acetic acid Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H28N4O3/c32-27(33)26(31-14-12-30(13-15-31)18-20-8-10-28-11-9-20)24-17-29-25-7-6-22(16-23(24)25)34-19-21-4-2-1-3-5-21/h1-11,16-17,26,29H,12-15,18-19H2,(H,32,33)