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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-5-butoxy-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-5-butoxy-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-5-butoxy-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-5-butoxy-1H-indol-3-yl]acetic acid Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H22BrNO4/c1-3-4-9-27-14-6-7-18-15(11-14)16(12-20(24)25)21(23-18)17-10-13(22)5-8-19(17)26-2/h5-8,10-11,23H,3-4,9,12H2,1-2H3,(H,24,25)