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

Systemtic Name: 2-[3-bromanyl-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-bromo-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]-5-methyl-phenyl]acetic acid CAS Name: 2-[3-bromo-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]-5-methylphenyl]acetic acid IUPAC Name: 2-[3-bromo-4-[[3-(cyclopropylmethyl)-1H-indol-5-yl]oxy]-5-methylphenyl]acetic acid Traditional Name: 2-[3-bromo-4-[[3-(cyclopropylmethyl)-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=C3CC4CC4

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(=O)O)Br)OC2=CC3=C(C=C2)NC=C3CC4CC4

InChI

InChI=1S/C21H20BrNO3/c1-12-6-14(9-20(24)25)8-18(22)21(12)26-16-4-5-19-17(10-16)15(11-23-19)7-13-2-3-13/h4-6,8,10-11,13,23H,2-3,7,9H2,1H3,(H,24,25)