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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butoxy-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butoxy-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butoxy-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butoxy-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-5-butoxy-1H-indol-3-yl]acetic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO5/c1-2-3-8-25-14-5-6-17-15(10-14)16(11-20(23)24)21(22-17)13-4-7-18-19(9-13)27-12-26-18/h4-7,9-10,22H,2-3,8,11-12H2,1H3,(H,23,24)