2-[carboxymethyl-[5-octadecoxy-2-(3-phenylpropoxy)phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[5-octadecoxy-2-(3-phenylpropoxy)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[5-octadecoxy-2-(3-phenylpropoxy)benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[5-octadecoxy-2-(3-phenylpropoxy)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[5-octadecoxy-2-(3-phenylpropoxy)benzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(3-phenylpropoxy)-5-stearyloxy-benzoyl]amino]acetic acid Formula: C38H57NO7 MolecularWeight: 639.86168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCC2=CC=CC=C2)C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCCCC2=CC=CC=C2)C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C38H57NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-45-33-25-26-35(46-28-21-24-32-22-18-17-19-23-32)34(29-33)38(44)39(30-36(40)41)31-37(42)43/h17-19,22-23,25-26,29H,2-16,20-21,24,27-28,30-31H2,1H3,(H,40,41)(H,42,43)