2-[2-(1,3-benzodioxol-5-yl)-5-butyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butyl-1H-indol-3-yl]acetic acid Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO4/c1-2-3-4-13-5-7-17-15(9-13)16(11-20(23)24)21(22-17)14-6-8-18-19(10-14)26-12-25-18/h5-10,22H,2-4,11-12H2,1H3,(H,23,24)