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

Systemtic Name: 4-tert-butyl-3-[3-(4-butyl-2-methoxy-phenyl)octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-(4-butyl-2-methoxy-phenyl)octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[3-(4-butyl-2-methoxyphenyl)-1-oxooctyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-(4-butyl-2-methoxyphenyl)octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-(4-butyl-2-methoxy-phenyl)octanoylamino]benzoic acid Formula: C30H43NO4 MolecularWeight: 481.66672

Click to see the large picture

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)CCCC)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO4/c1-7-9-11-13-22(24-16-14-21(12-10-8-2)18-27(24)35-6)20-28(32)31-26-19-23(29(33)34)15-17-25(26)30(3,4)5/h14-19,22H,7-13,20H2,1-6H3,(H,31,32)(H,33,34)