6-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]hexanoic acid

Systemtic Name: 6-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]hexanoic acid Openeye Name: 6-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]hexanoic acid CAS Name: 6-[4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-1-piperazinyl]hexanoic acid IUPAC Name: 6-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]hexanoic acid Traditional Name: 6-[4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]piperazino]hexanoic acid Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCC(=O)O)C(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1CCCCCC(=O)O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H26N2O5/c23-19(8-6-16-5-7-17-18(14-16)27-15-26-17)22-12-10-21(11-13-22)9-3-1-2-4-20(24)25/h5-8,14H,1-4,9-13,15H2,(H,24,25)/b8-6+