2-[2-(5-bromanyl-2-ethoxy-phenyl)-5-propan-2-yl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(5-bromanyl-2-ethoxy-phenyl)-5-propan-2-yl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-isopropyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-propan-2-yl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-isopropyl-1H-indol-3-yl]acetic acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)C(C)C)CC(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)C(C)C)CC(=O)O

InChI

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