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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCCCOC3=C(C=C(C=C3)Br)C)C=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCCCOC3=C(C=C(C=C3)Br)C)C=C1.C(=O)(C(=O)O)O

InChI

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