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

Systemtic Name: 6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoate Openeye Name: 6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoate CAS Name: 6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]hexanoate IUPAC Name: 6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoate Traditional Name: 6-[[(E)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]hexanoate Formula: C18H21N2O6- MolecularWeight: 361.36914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)NCCCCCC(=O)[O-]

Isomeric SMILES

CC(=O)N/C(=C/C1=CC2=C(C=C1)OCO2)/C(=O)NCCCCCC(=O)[O-]

InChI

InChI=1S/C18H22N2O6/c1-12(21)20-14(18(24)19-8-4-2-3-5-17(22)23)9-13-6-7-15-16(10-13)26-11-25-15/h6-7,9-10H,2-5,8,11H2,1H3,(H,19,24)(H,20,21)(H,22,23)/p-1/b14-9+