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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-3-12(2)13-4-6-17-15(8-13)16(10-20(23)24)21(22-17)14-5-7-18-19(9-14)26-11-25-18/h4-9,12,22H,3,10-11H2,1-2H3,(H,23,24)