2-[(4-octadecoxynaphthalen-1-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(4-octadecoxynaphthalen-1-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[(4-octadecoxy-1-naphthyl)methyl-phenethyl-amino]-2-oxo-acetic acid CAS Name: 2-[(4-octadecoxy-1-naphthalenyl)methyl-phenethylamino]-2-oxoacetic acid IUPAC Name: 2-[(4-octadecoxynaphthalen-1-yl)methyl-phenethylamino]-2-oxoacetic acid Traditional Name: 2-keto-2-[phenethyl-[(4-stearyloxy-1-naphthyl)methyl]amino]acetic acid Formula: C39H55NO4 MolecularWeight: 601.8583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)CN(CCC3=CC=CC=C3)C(=O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C2=CC=CC=C21)CN(CCC3=CC=CC=C3)C(=O)C(=O)O

InChI

InChI=1S/C39H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-44-37-28-27-34(35-25-20-21-26-36(35)37)32-40(38(41)39(42)43)30-29-33-23-18-17-19-24-33/h17-21,23-28H,2-16,22,29-32H2,1H3,(H,42,43)