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

Systemtic Name: 4-tert-butyl-3-[3-[2-methoxy-4-[3-(methylsulfonylamino)propoxy]phenyl]octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[4-[3-(methanesulfonamido)propoxy]-2-methoxy-phenyl]octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-[4-[3-(methanesulfonamido)propoxy]-2-methoxyphenyl]-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[4-[3-(methanesulfonamido)propoxy]-2-methoxyphenyl]octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[4-[3-(methanesulfonamido)propoxy]-2-methoxy-phenyl]octanoylamino]benzoic acid Formula: C30H44N2O7S MolecularWeight: 576.74456

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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)OCCCNS(=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)OCCCNS(=O)(=O)C)OC

InChI

InChI=1S/C30H44N2O7S/c1-7-8-9-11-21(19-28(33)32-26-18-22(29(34)35)12-15-25(26)30(2,3)4)24-14-13-23(20-27(24)38-5)39-17-10-16-31-40(6,36)37/h12-15,18,20-21,31H,7-11,16-17,19H2,1-6H3,(H,32,33)(H,34,35)