2-[carboxymethyl-[3,5-di(octanoyloxy)phenyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[3,5-di(octanoyloxy)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3,5-di(octanoyloxy)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3,5-bis(1-oxooctoxy)anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3,5-di(octanoyloxy)anilino]acetic acid Traditional Name: 2-[3,5-dicaprylyloxy-N-(carboxymethyl)anilino]acetic acid Formula: C26H39NO8 MolecularWeight: 493.58976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)OC(=O)CCCCCCC

InChI

InChI=1S/C26H39NO8/c1-3-5-7-9-11-13-25(32)34-21-15-20(27(18-23(28)29)19-24(30)31)16-22(17-21)35-26(33)14-12-10-8-6-4-2/h15-17H,3-14,18-19H2,1-2H3,(H,28,29)(H,30,31)