2-[carboxymethyl-(5-octadecoxy-2-phenylmethoxy-phenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(5-octadecoxy-2-phenylmethoxy-phenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[(2-benzyloxy-5-octadecoxy-benzoyl)-(carboxymethyl)amino]acetic acid CAS Name: 2-[carboxymethyl-[(5-octadecoxy-2-phenylmethoxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-(5-octadecoxy-2-phenylmethoxybenzoyl)amino]acetic acid Traditional Name: 2-[(2-benzoxy-5-stearyloxy-benzoyl)-(carboxymethyl)amino]acetic acid Formula: C36H53NO7 MolecularWeight: 611.80852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C36H53NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-43-31-23-24-33(44-29-30-21-18-17-19-22-30)32(26-31)36(42)37(27-34(38)39)28-35(40)41/h17-19,21-24,26H,2-16,20,25,27-29H2,1H3,(H,38,39)(H,40,41)