2-[4-[(6-methyl-4-oxidanylidene-2-propyl-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[(6-methyl-4-oxidanylidene-2-propyl-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(6-methyl-4-oxo-2-propyl-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(6-methyl-4-oxo-2-propyl-3-quinazolinyl)methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(6-methyl-4-oxo-2-propylquinazolin-3-yl)methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(4-keto-6-methyl-2-propyl-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-acetic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H26N2O4/c1-3-7-24-28-23-15-10-18(2)16-22(23)26(30)29(24)17-19-11-13-21(14-12-19)33-25(27(31)32)20-8-5-4-6-9-20/h4-6,8-16,25H,3,7,17H2,1-2H3,(H,31,32)