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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO2.C2H2O4/c1-14-7-10-18(17(21)13-14)23-11-4-12-24-19-6-3-5-16-9-8-15(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)