2-[4-[(2-butyl-8-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[(2-butyl-8-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(2-butyl-8-methyl-4-oxo-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(2-butyl-8-methyl-4-oxo-3-quinazolinyl)methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(2-butyl-8-methyl-4-oxoquinazolin-3-yl)methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(2-butyl-4-keto-8-methyl-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-acetic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC=C2C)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=CC=C2C)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H28N2O4/c1-3-4-13-24-29-25-19(2)9-8-12-23(25)27(31)30(24)18-20-14-16-22(17-15-20)34-26(28(32)33)21-10-6-5-7-11-21/h5-12,14-17,26H,3-4,13,18H2,1-2H3,(H,32,33)