(E)-4-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(1,3-benzodioxol-4-ylmethyl)-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(1,3-benzodioxol-4-ylmethyl)piperazino]-4-keto-but-2-enoic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H18N2O5/c19-14(4-5-15(20)21)18-8-6-17(7-9-18)10-12-2-1-3-13-16(12)23-11-22-13/h1-5H,6-11H2,(H,20,21)/b5-4+