3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]quinazolin-4-one; ethanedioic acid

Systemtic Name: 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethyl]quinazolin-4-one; ethanedioic acid Openeye Name: 3-[2-(2-bromo-4,6-dimethyl-phenoxy)ethyl]quinazolin-4-one; oxalic acid CAS Name: 3-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[2-(2-bromo-4,6-dimethyl-phenoxy)ethyl]quinazolin-4-one; oxalic acid Formula: C20H19BrN2O6 MolecularWeight: 463.27866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCN2C=NC3=CC=CC=C3C2=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCN2C=NC3=CC=CC=C3C2=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H17BrN2O2.C2H2O4/c1-12-9-13(2)17(15(19)10-12)23-8-7-21-11-20-16-6-4-3-5-14(16)18(21)22;3-1(4)2(5)6/h3-6,9-11H,7-8H2,1-2H3;(H,3,4)(H,5,6)