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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-(4-piperonylpiperazino)acetic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C22H23N3O4/c26-22(27)21(17-12-23-18-4-2-1-3-16(17)18)25-9-7-24(8-10-25)13-15-5-6-19-20(11-15)29-14-28-19/h1-6,11-12,21,23H,7-10,13-14H2,(H,26,27)