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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-phenyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid Traditional Name: 2-(2-phenyl-1H-indol-3-yl)-2-(4-piperonylpiperazino)acetic acid Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=C(NC5=CC=CC=C54)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=C(NC5=CC=CC=C54)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C28H27N3O4/c32-28(33)27(25-21-8-4-5-9-22(21)29-26(25)20-6-2-1-3-7-20)31-14-12-30(13-15-31)17-19-10-11-23-24(16-19)35-18-34-23/h1-11,16,27,29H,12-15,17-18H2,(H,32,33)