6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoate

Systemtic Name: 6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoate Openeye Name: 6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoate CAS Name: 6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]hexanoate IUPAC Name: 6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoate Traditional Name: 6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]hexanoate Formula: C23H23N2O6- MolecularWeight: 423.43852

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCCCCC(=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCCCCC(=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O6/c26-21(27)9-5-2-6-12-24-23(29)18(25-22(28)17-7-3-1-4-8-17)13-16-10-11-19-20(14-16)31-15-30-19/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12,15H2,(H,24,29)(H,25,28)(H,26,27)/p-1/b18-13+