2-[[(E)-5-(1,3-benzodioxol-5-yl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[(E)-5-(1,3-benzodioxol-5-yl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[(E)-5-(1,3-benzodioxol-5-yl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid CAS Name: 2-[[(E)-5-(1,3-benzodioxol-5-yl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid IUPAC Name: 2-[[(E)-5-(1,3-benzodioxol-5-yl)-3-phenylpent-2-en-4-ynyl]-methylamino]acetic acid Traditional Name: 2-[[(E)-5-(1,3-benzodioxol-5-yl)-3-phenyl-pent-2-en-4-ynyl]-methyl-amino]acetic acid Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C(C#CC1=CC2=C(C=C1)OCO2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN(C/C=C(/C#CC1=CC2=C(C=C1)OCO2)\C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H19NO4/c1-22(14-21(23)24)12-11-18(17-5-3-2-4-6-17)9-7-16-8-10-19-20(13-16)26-15-25-19/h2-6,8,10-11,13H,12,14-15H2,1H3,(H,23,24)/b18-11-