4-[[3,5-bis(decylcarbamoyl)phenyl]-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid

Systemtic Name: 4-[[3,5-bis(decylcarbamoyl)phenyl]-(4-oxidanyl-4-oxidanylidene-butyl)amino]butanoic acid Openeye Name: 4-[3,5-bis(decylcarbamoyl)-N-(4-hydroxy-4-oxo-butyl)anilino]butanoic acid CAS Name: 4-[3,5-bis[(decylamino)-oxomethyl]-N-(4-hydroxy-4-oxobutyl)anilino]butanoic acid IUPAC Name: 4-[3,5-bis(decylcarbamoyl)-N-(4-hydroxy-4-oxobutyl)anilino]butanoic acid Traditional Name: 4-[3,5-bis(decylcarbamoyl)-N-(4-hydroxy-4-keto-butyl)anilino]butyric acid Formula: C36H61N3O6 MolecularWeight: 631.88604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)C1=CC(=CC(=C1)N(CCCC(=O)O)CCCC(=O)O)C(=O)NCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCNC(=O)C1=CC(=CC(=C1)N(CCCC(=O)O)CCCC(=O)O)C(=O)NCCCCCCCCCC

InChI

InChI=1S/C36H61N3O6/c1-3-5-7-9-11-13-15-17-23-37-35(44)30-27-31(36(45)38-24-18-16-14-12-10-8-6-4-2)29-32(28-30)39(25-19-21-33(40)41)26-20-22-34(42)43/h27-29H,3-26H2,1-2H3,(H,37,44)(H,38,45)(H,40,41)(H,42,43)