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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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