2-[1-(1,3-benzodioxol-5-ylmethyl)-5-prop-2-enoxy-indol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-5-prop-2-enoxy-indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[5-allyloxy-1-(1,3-benzodioxol-5-ylmethyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-5-prop-2-enoxy-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)-5-prop-2-enoxyindol-3-yl]-2-oxoacetic acid Traditional Name: 2-(5-allyloxy-1-piperonyl-indol-3-yl)-2-keto-acetic acid Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC2=C(C=C1)N(C=C2C(=O)C(=O)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCOC1=CC2=C(C=C1)N(C=C2C(=O)C(=O)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17NO6/c1-2-7-26-14-4-5-17-15(9-14)16(20(23)21(24)25)11-22(17)10-13-3-6-18-19(8-13)28-12-27-18/h2-6,8-9,11H,1,7,10,12H2,(H,24,25)