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

Systemtic Name: 2-[3-bromanyl-4-[(3-cyclobutyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-bromo-4-[(3-cyclobutyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]acetic acid CAS Name: 2-[3-bromo-4-[(3-cyclobutyl-1H-indol-5-yl)oxy]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-bromo-4-[(3-cyclobutyl-1H-indol-5-yl)oxy]-5-methylphenyl]acetic acid Traditional Name: 2-[3-bromo-4-[(3-cyclobutyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]acetic acid Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(=O)O)Br)OC2=CC3=C(C=C2)NC=C3C4CCC4

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(=O)O)Br)OC2=CC3=C(C=C2)NC=C3C4CCC4

InChI

InChI=1S/C21H20BrNO3/c1-12-7-13(9-20(24)25)8-18(22)21(12)26-15-5-6-19-16(10-15)17(11-23-19)14-3-2-4-14/h5-8,10-11,14,23H,2-4,9H2,1H3,(H,24,25)