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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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