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

Systemtic Name: 2-[[3,5-bis(octoxycarbonyl)phenyl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[N-(carboxymethyl)-3,5-bis(octoxycarbonyl)anilino]acetic acid CAS Name: 2-[N-(carboxymethyl)-3,5-bis[octoxy(oxo)methyl]anilino]acetic acid IUPAC Name: 2-[N-(carboxymethyl)-3,5-bis(octoxycarbonyl)anilino]acetic acid Traditional Name: 2-[N-(carboxymethyl)-3,5-bis(octoxycarbonyl)anilino]acetic acid Formula: C28H43NO8 MolecularWeight: 521.64292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=CC(=C1)N(CC(=O)O)CC(=O)O)C(=O)OCCCCCCCC

InChI

InChI=1S/C28H43NO8/c1-3-5-7-9-11-13-15-36-27(34)22-17-23(28(35)37-16-14-12-10-8-6-4-2)19-24(18-22)29(20-25(30)31)21-26(32)33/h17-19H,3-16,20-21H2,1-2H3,(H,30,31)(H,32,33)