4-tert-butyl-3-[3-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[2-methoxy-4-(3-methylsulfonylpropoxy)phenyl]octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[4-(3-mesylpropoxy)-2-methoxy-phenyl]octanoylamino]benzoic acid Formula: C30H43NO7S MolecularWeight: 561.72992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OCCCS(=O)(=O)C)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=C(C=C(C=C2)OCCCS(=O)(=O)C)OC

InChI

InChI=1S/C30H43NO7S/c1-7-8-9-11-21(24-14-13-23(20-27(24)37-5)38-16-10-17-39(6,35)36)19-28(32)31-26-18-22(29(33)34)12-15-25(26)30(2,3)4/h12-15,18,20-21H,7-11,16-17,19H2,1-6H3,(H,31,32)(H,33,34)