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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-benzyloxy-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-(4-piperonylpiperazino)acetic acid Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=CNC5=C4C=C(C=C5)OCC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=CNC5=C4C=C(C=C5)OCC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C29H29N3O5/c33-29(34)28(32-12-10-31(11-13-32)17-21-6-9-26-27(14-21)37-19-36-26)24-16-30-25-8-7-22(15-23(24)25)35-18-20-4-2-1-3-5-20/h1-9,14-16,28,30H,10-13,17-19H2,(H,33,34)