2-[3-bromanyl-4-[(3-butan-2-yl-1H-indol-5-yl)oxy]-5-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-4-[(3-butan-2-yl-1H-indol-5-yl)oxy]-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-bromo-5-methyl-4-[(3-sec-butyl-1H-indol-5-yl)oxy]phenyl]acetic acid CAS Name: 2-[3-bromo-4-[(3-butan-2-yl-1H-indol-5-yl)oxy]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-bromo-4-[(3-butan-2-yl-1H-indol-5-yl)oxy]-5-methylphenyl]acetic acid Traditional Name: 2-[3-bromo-5-methyl-4-[(3-sec-butyl-1H-indol-5-yl)oxy]phenyl]acetic acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C

Isomeric SMILES

CCC(C)C1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C

InChI

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