ethanedioic acid; 3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]quinazolin-4-one

Systemtic Name: ethanedioic acid; 3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]ethyl]quinazolin-4-one; oxalic acid CAS Name: oxalic acid; 3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]-4-quinazolinone IUPAC Name: oxalic acid; 3-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]quinazolin-4-one Traditional Name: 3-[2-(4-cumylphenoxy)ethyl]quinazolin-4-one; oxalic acid Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN3C=NC4=CC=CC=C4C3=O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN3C=NC4=CC=CC=C4C3=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H24N2O2.C2H2O4/c1-25(2,19-8-4-3-5-9-19)20-12-14-21(15-13-20)29-17-16-27-18-26-23-11-7-6-10-22(23)24(27)28;3-1(4)2(5)6/h3-15,18H,16-17H2,1-2H3;(H,3,4)(H,5,6)