8-[4-(2-bromanyl-4-methyl-phenoxy)butoxy]quinoline; ethanedioic acid

Systemtic Name: 8-[4-(2-bromanyl-4-methyl-phenoxy)butoxy]quinoline; ethanedioic acid Openeye Name: 8-[4-(2-bromo-4-methyl-phenoxy)butoxy]quinoline; oxalic acid CAS Name: 8-[4-(2-bromo-4-methylphenoxy)butoxy]quinoline; oxalic acid IUPAC Name: 8-[4-(2-bromo-4-methylphenoxy)butoxy]quinoline; oxalic acid Traditional Name: 8-[4-(2-bromo-4-methyl-phenoxy)butoxy]quinoline; oxalic acid Formula: C22H22BrNO6 MolecularWeight: 476.31718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCOC2=CC=CC3=C2N=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCOC2=CC=CC3=C2N=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20BrNO2.C2H2O4/c1-15-9-10-18(17(21)14-15)23-12-2-3-13-24-19-8-4-6-16-7-5-11-22-20(16)19;3-1(4)2(5)6/h4-11,14H,2-3,12-13H2,1H3;(H,3,4)(H,5,6)