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

Systemtic Name: ethanedioic acid; 3-[3-(3-methyl-4-propan-2-yl-phenoxy)propyl]quinazolin-4-one Openeye Name: 3-[3-(4-isopropyl-3-methyl-phenoxy)propyl]quinazolin-4-one; oxalic acid CAS Name: 3-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]-4-quinazolinone; oxalic acid IUPAC Name: 3-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]quinazolin-4-one; oxalic acid Traditional Name: 3-[3-(4-isopropyl-3-methyl-phenoxy)propyl]quinazolin-4-one; oxalic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCN2C=NC3=CC=CC=C3C2=O)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCN2C=NC3=CC=CC=C3C2=O)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O2.C2H2O4/c1-15(2)18-10-9-17(13-16(18)3)25-12-6-11-23-14-22-20-8-5-4-7-19(20)21(23)24;3-1(4)2(5)6/h4-5,7-10,13-15H,6,11-12H2,1-3H3;(H,3,4)(H,5,6)