3-[3-[2,6-di(propan-2-yl)phenoxy]propyl]quinazolin-4-one; ethanedioic acid

Systemtic Name: 3-[3-[2,6-di(propan-2-yl)phenoxy]propyl]quinazolin-4-one; ethanedioic acid Openeye Name: 3-[3-(2,6-diisopropylphenoxy)propyl]quinazolin-4-one; oxalic acid CAS Name: 3-[3-[2,6-di(propan-2-yl)phenoxy]propyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[3-[2,6-di(propan-2-yl)phenoxy]propyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[3-(2,6-diisopropylphenoxy)propyl]quinazolin-4-one; oxalic acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OCCCN2C=NC3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OCCCN2C=NC3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O2.C2H2O4/c1-16(2)18-10-7-11-19(17(3)4)22(18)27-14-8-13-25-15-24-21-12-6-5-9-20(21)23(25)26;3-1(4)2(5)6/h5-7,9-12,15-17H,8,13-14H2,1-4H3;(H,3,4)(H,5,6)