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

Systemtic Name: 2-[carboxymethyl-[3-octadecoxy-5-(3-phenoxypropoxy)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[3-octadecoxy-5-(3-phenoxypropoxy)benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[3-octadecoxy-5-(3-phenoxypropoxy)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[3-octadecoxy-5-(3-phenoxypropoxy)benzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[3-(3-phenoxypropoxy)-5-stearyloxy-benzoyl]amino]acetic acid Formula: C38H57NO8 MolecularWeight: 655.86108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)N(CC(=O)O)CC(=O)O)OCCCOC2=CC=CC=C2

InChI

InChI=1S/C38H57NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-46-34-27-32(38(44)39(30-36(40)41)31-37(42)43)28-35(29-34)47-26-21-25-45-33-22-18-17-19-23-33/h17-19,22-23,27-29H,2-16,20-21,24-26,30-31H2,1H3,(H,40,41)(H,42,43)