2-[carboxymethyl-[2-[(4-nitrophenyl)methoxy]-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[(4-nitrophenyl)methoxy]-5-octadecoxy-phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[(4-nitrophenyl)methoxy]-5-octadecoxy-benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[[2-[(4-nitrophenyl)methoxy]-5-octadecoxyphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[(4-nitrophenyl)methoxy]-5-octadecoxybenzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(4-nitrobenzyl)oxy-5-stearyloxy-benzoyl]amino]acetic acid Formula: C36H52N2O9 MolecularWeight: 656.80608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C36H52N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-46-31-22-23-33(47-28-29-18-20-30(21-19-29)38(44)45)32(25-31)36(43)37(26-34(39)40)27-35(41)42/h18-23,25H,2-17,24,26-28H2,1H3,(H,39,40)(H,41,42)