3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(1-ethyl-3-indolyl)propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)propionic acid Formula: C20H19NO4 MolecularWeight: 337.36916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(CC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19NO4/c1-2-21-11-16(14-5-3-4-6-17(14)21)15(10-20(22)23)13-7-8-18-19(9-13)25-12-24-18/h3-9,11,15H,2,10,12H2,1H3,(H,22,23)