6-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[[(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]hexanoic acid Formula: C18H22N2O6 MolecularWeight: 362.37708

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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)/b14-9-