2-[3-(4-azanylbutyl)-2-(5-bromanyl-2-methoxy-phenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(5-bromanyl-2-methoxy-phenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(5-bromo-2-methoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(5-bromo-2-methoxy-phenyl)-1H-indol-5-yl]acetic acid Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

InChI

InChI=1S/C21H23BrN2O3/c1-27-19-8-6-14(22)12-17(19)21-15(4-2-3-9-23)16-10-13(11-20(25)26)5-7-18(16)24-21/h5-8,10,12,24H,2-4,9,11,23H2,1H3,(H,25,26)