8-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propoxy]quinoline; ethanedioic acid

Systemtic Name: 8-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propoxy]quinoline; ethanedioic acid Openeye Name: 8-[3-(2-bromo-4,6-dimethyl-phenoxy)propoxy]quinoline; oxalic acid CAS Name: 8-[3-(2-bromo-4,6-dimethylphenoxy)propoxy]quinoline; oxalic acid IUPAC Name: 8-[3-(2-bromo-4,6-dimethylphenoxy)propoxy]quinoline; oxalic acid Traditional Name: 8-[3-(2-bromo-4,6-dimethyl-phenoxy)propoxy]quinoline; oxalic acid Formula: C22H22BrNO6 MolecularWeight: 476.31718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCOC2=CC=CC3=C2N=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCOC2=CC=CC3=C2N=CC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20BrNO2.C2H2O4/c1-14-12-15(2)20(17(21)13-14)24-11-5-10-23-18-8-3-6-16-7-4-9-22-19(16)18;3-1(4)2(5)6/h3-4,6-9,12-13H,5,10-11H2,1-2H3;(H,3,4)(H,5,6)