3-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]quinazolin-4-one; ethanedioic acid

Systemtic Name: 3-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl]quinazolin-4-one; ethanedioic acid Openeye Name: 3-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]quinazolin-4-one; oxalic acid CAS Name: 3-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]quinazolin-4-one; oxalic acid Formula: C20H18BrClN2O6 MolecularWeight: 497.72372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCN2C=NC3=CC=CC=C3C2=O)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCN2C=NC3=CC=CC=C3C2=O)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H16BrClN2O2.C2H2O4/c1-12-9-14(19)17(15(20)10-12)24-8-4-7-22-11-21-16-6-3-2-5-13(16)18(22)23;3-1(4)2(5)6/h2-3,5-6,9-11H,4,7-8H2,1H3;(H,3,4)(H,5,6)