3-[2-(2-tert-butyl-5-methyl-phenoxy)ethyl]quinazolin-4-one; ethanedioic acid

Systemtic Name: 3-[2-(2-tert-butyl-5-methyl-phenoxy)ethyl]quinazolin-4-one; ethanedioic acid Openeye Name: 3-[2-(2-tert-butyl-5-methyl-phenoxy)ethyl]quinazolin-4-one; oxalic acid CAS Name: 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[2-(2-tert-butyl-5-methyl-phenoxy)ethyl]quinazolin-4-one; oxalic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2.C2H2O4/c1-15-9-10-17(21(2,3)4)19(13-15)25-12-11-23-14-22-18-8-6-5-7-16(18)20(23)24;3-1(4)2(5)6/h5-10,13-14H,11-12H2,1-4H3;(H,3,4)(H,5,6)