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

Systemtic Name: 6-azanyl-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]hexanoic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C16H20N2O5/c17-8-2-1-3-12(16(20)21)18-15(19)7-5-11-4-6-13-14(9-11)23-10-22-13/h4-7,9,12H,1-3,8,10,17H2,(H,18,19)(H,20,21)/b7-5+