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

Systemtic Name: 2-[3-bromanyl-4-[[3-(cyclobutylmethyl)-1H-indol-5-yl]oxy]-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-bromo-4-[[3-(cyclobutylmethyl)-1H-indol-5-yl]oxy]-5-methyl-phenyl]acetic acid CAS Name: 2-[3-bromo-4-[[3-(cyclobutylmethyl)-1H-indol-5-yl]oxy]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-bromo-4-[[3-(cyclobutylmethyl)-1H-indol-5-yl]oxy]-5-methylphenyl]acetic acid Traditional Name: 2-[3-bromo-4-[[3-(cyclobutylmethyl)-1H-indol-5-yl]oxy]-5-methyl-phenyl]acetic acid Formula: C22H22BrNO3 MolecularWeight: 428.31898

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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=C3CC4CCC4

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(=O)O)Br)OC2=CC3=C(C=C2)NC=C3CC4CCC4

InChI

InChI=1S/C22H22BrNO3/c1-13-7-15(10-21(25)26)9-19(23)22(13)27-17-5-6-20-18(11-17)16(12-24-20)8-14-3-2-4-14/h5-7,9,11-12,14,24H,2-4,8,10H2,1H3,(H,25,26)