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

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanoic acid Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanoic acid CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]pentanoic acid IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]pentanoic acid Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]valeric acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCC(C(=O)O)NC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H17NO5/c1-2-3-11(15(18)19)16-14(17)7-5-10-4-6-12-13(8-10)21-9-20-12/h4-8,11H,2-3,9H2,1H3,(H,16,17)(H,18,19)/b7-5+