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

Systemtic Name: 2-[4-[(2-butyl-4-methylimino-6-methylsulfonyl-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)ethanoic acid Openeye Name: 2-[4-[(2-butyl-4-methylimino-6-methylsulfonyl-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid CAS Name: 2-[4-[(2-butyl-4-methylimino-6-methylsulfonyl-3-quinazolinyl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid IUPAC Name: 2-[4-[(2-butyl-4-methylimino-6-methylsulfonylquinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid Traditional Name: 2-[4-[(2-butyl-6-mesyl-4-methylimino-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid Formula: C29H30ClN3O5S MolecularWeight: 568.0836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)S(=O)(=O)C)C(=NC)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)S(=O)(=O)C)C(=NC)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C29H30ClN3O5S/c1-4-5-10-26-32-25-16-15-21(39(3,36)37)17-23(25)28(31-2)33(26)18-19-11-13-20(14-12-19)38-27(29(34)35)22-8-6-7-9-24(22)30/h6-9,11-17,27H,4-5,10,18H2,1-3H3,(H,34,35)