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

Systemtic Name: 4-[[3,5-bis(decylcarbamoyl)phenyl]-(4-ethoxy-4-oxidanylidene-butyl)amino]butanoic acid Openeye Name: 4-[3,5-bis(decylcarbamoyl)-N-(4-ethoxy-4-oxo-butyl)anilino]butanoic acid CAS Name: 4-[3,5-bis[(decylamino)-oxomethyl]-N-(4-ethoxy-4-oxobutyl)anilino]butanoic acid IUPAC Name: 4-[3,5-bis(decylcarbamoyl)-N-(4-ethoxy-4-oxobutyl)anilino]butanoic acid Traditional Name: 4-[3,5-bis(decylcarbamoyl)-N-(4-ethoxy-4-keto-butyl)anilino]butyric acid Formula: C38H65N3O6 MolecularWeight: 659.9392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H65N3O6/c1-4-7-9-11-13-15-17-19-25-39-37(45)32-29-33(38(46)40-26-20-18-16-14-12-10-8-5-2)31-34(30-32)41(27-21-23-35(42)43)28-22-24-36(44)47-6-3/h29-31H,4-28H2,1-3H3,(H,39,45)(H,40,46)(H,42,43)