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

Systemtic Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-(2,6-dimethylphenyl)ethanoic acid Openeye Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxo-quinazolin-3-yl)methyl]phenoxy]-2-(2,6-dimethylphenyl)acetic acid CAS Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxo-3-quinazolinyl)methyl]phenoxy]-2-(2,6-dimethylphenyl)acetic acid IUPAC Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxoquinazolin-3-yl)methyl]phenoxy]-2-(2,6-dimethylphenyl)acetic acid Traditional Name: 2-[4-[(2-butyl-4-keto-6-mesyl-quinazolin-3-yl)methyl]phenoxy]-2-(2,6-dimethylphenyl)acetic acid Formula: C30H32N2O6S MolecularWeight: 548.64988

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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=C(C=CC=C4C)C)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=C(C=CC=C4C)C)C(=O)O

InChI

InChI=1S/C30H32N2O6S/c1-5-6-10-26-31-25-16-15-23(39(4,36)37)17-24(25)29(33)32(26)18-21-11-13-22(14-12-21)38-28(30(34)35)27-19(2)8-7-9-20(27)3/h7-9,11-17,28H,5-6,10,18H2,1-4H3,(H,34,35)