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

Systemtic Name: 2-[carboxymethyl-(3-nitro-5-octadecoxy-phenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-(3-nitro-5-octadecoxy-benzoyl)amino]acetic acid CAS Name: 2-[carboxymethyl-[(3-nitro-5-octadecoxyphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-(3-nitro-5-octadecoxybenzoyl)amino]acetic acid Traditional Name: 2-[carboxymethyl-(3-nitro-5-stearyloxy-benzoyl)amino]acetic acid Formula: C29H46N2O8 MolecularWeight: 550.68414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-39-26-20-24(19-25(21-26)31(37)38)29(36)30(22-27(32)33)23-28(34)35/h19-21H,2-18,22-23H2,1H3,(H,32,33)(H,34,35)