2-[2-(5-bromanyl-2-methoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H22BrNO3/c1-21(2,3)12-5-7-17-14(9-12)15(11-19(24)25)20(23-17)16-10-13(22)6-8-18(16)26-4/h5-10,23H,11H2,1-4H3,(H,24,25)