3-[[3,5-bis(decylcarbamoyl)phenyl]-(3-ethoxy-3-oxidanylidene-propyl)amino]propanoic acid

Systemtic Name: 3-[[3,5-bis(decylcarbamoyl)phenyl]-(3-ethoxy-3-oxidanylidene-propyl)amino]propanoic acid Openeye Name: 3-[3,5-bis(decylcarbamoyl)-N-(3-ethoxy-3-oxo-propyl)anilino]propanoic acid CAS Name: 3-[3,5-bis[(decylamino)-oxomethyl]-N-(3-ethoxy-3-oxopropyl)anilino]propanoic acid IUPAC Name: 3-[3,5-bis(decylcarbamoyl)-N-(3-ethoxy-3-oxopropyl)anilino]propanoic acid Traditional Name: 3-[3,5-bis(decylcarbamoyl)-N-(3-ethoxy-3-keto-propyl)anilino]propionic acid Formula: C36H61N3O6 MolecularWeight: 631.88604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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