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

Systemtic Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-(2-methylphenyl)ethanoic acid Openeye Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxo-quinazolin-3-yl)methyl]phenoxy]-2-(o-tolyl)acetic acid CAS Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxo-3-quinazolinyl)methyl]phenoxy]-2-(2-methylphenyl)acetic acid IUPAC Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxoquinazolin-3-yl)methyl]phenoxy]-2-(2-methylphenyl)acetic acid Traditional Name: 2-[4-[(2-butyl-4-keto-6-mesyl-quinazolin-3-yl)methyl]phenoxy]-2-(o-tolyl)acetic acid Formula: C29H30N2O6S MolecularWeight: 534.6233

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

InChI

InChI=1S/C29H30N2O6S/c1-4-5-10-26-30-25-16-15-22(38(3,35)36)17-24(25)28(32)31(26)18-20-11-13-21(14-12-20)37-27(29(33)34)23-9-7-6-8-19(23)2/h6-9,11-17,27H,4-5,10,18H2,1-3H3,(H,33,34)