2-[[3,5-bis(decylcarbamoyloxy)phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[3,5-bis(decylcarbamoyloxy)phenyl]carbonyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[3,5-bis(decylcarbamoyloxy)benzoyl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[[3,5-bis[(decylamino)-oxomethoxy]phenyl]-oxomethyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[3,5-bis(decylcarbamoyloxy)benzoyl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[3,5-bis(decylcarbamoyloxy)benzoyl]-(carboxymethyl)amino]acetic acid Formula: C33H53N3O9 MolecularWeight: 635.78862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)OC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)OC(=O)NCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCNC(=O)OC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)OC(=O)NCCCCCCCCCC

InChI

InChI=1S/C33H53N3O9/c1-3-5-7-9-11-13-15-17-19-34-32(42)44-27-21-26(31(41)36(24-29(37)38)25-30(39)40)22-28(23-27)45-33(43)35-20-18-16-14-12-10-8-6-4-2/h21-23H,3-20,24-25H2,1-2H3,(H,34,42)(H,35,43)(H,37,38)(H,39,40)