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

Systemtic Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxo-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-acetic acid CAS Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxo-3-quinazolinyl)methyl]phenoxy]-2-phenylacetic acid IUPAC Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxoquinazolin-3-yl)methyl]phenoxy]-2-phenylacetic acid Traditional Name: 2-[4-[(2-butyl-4-keto-6-mesyl-quinazolin-3-yl)methyl]phenoxy]-2-phenyl-acetic acid Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)S(=O)(=O)C)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)S(=O)(=O)C)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H28N2O6S/c1-3-4-10-25-29-24-16-15-22(37(2,34)35)17-23(24)27(31)30(25)18-19-11-13-21(14-12-19)36-26(28(32)33)20-8-6-5-7-9-20/h5-9,11-17,26H,3-4,10,18H2,1-2H3,(H,32,33)