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

Systemtic Name: 3-[4-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)butyl]quinazolin-4-one; ethanedioic acid Openeye Name: 3-[4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl]quinazolin-4-one; oxalic acid CAS Name: 3-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[4-(2-bromo-6-chloro-4-methyl-phenoxy)butyl]quinazolin-4-one; oxalic acid Formula: C21H20BrClN2O6 MolecularWeight: 511.7503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCCCN2C=NC3=CC=CC=C3C2=O)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCCCN2C=NC3=CC=CC=C3C2=O)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H18BrClN2O2.C2H2O4/c1-13-10-15(20)18(16(21)11-13)25-9-5-4-8-23-12-22-17-7-3-2-6-14(17)19(23)24;3-1(4)2(5)6/h2-3,6-7,10-12H,4-5,8-9H2,1H3;(H,3,4)(H,5,6)