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

Systemtic Name: 5-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C19H17NO6/c1-24-15-5-3-13(8-14(15)19(22)23)10-20-18(21)7-4-12-2-6-16-17(9-12)26-11-25-16/h2-9H,10-11H2,1H3,(H,20,21)(H,22,23)/b7-4+