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

Systemtic Name: 3-[3-bromanyl-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]propanoic acid Openeye Name: 3-[3-bromo-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]propanoic acid CAS Name: 3-[3-bromo-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]propanoic acid IUPAC Name: 3-[3-bromo-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]propanoic acid Traditional Name: 3-[3-bromo-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-methyl-phenyl]propionic acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCC(=O)O)Br)OC2=CC3=C(C=C2)NC=C3C(C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CCC(=O)O)Br)OC2=CC3=C(C=C2)NC=C3C(C)C

InChI

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