2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-7-propan-2-yl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-7-propan-2-yl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-7-isopropyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-7-isopropyl-1H-indol-3-yl]acetic acid Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC(C)C1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H22BrNO4/c1-11(2)12-6-5-7-13-14(9-19(24)25)21(23-20(12)13)15-8-17(26-3)18(27-4)10-16(15)22/h5-8,10-11,23H,9H2,1-4H3,(H,24,25)