2-[2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]octadecanoyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]octadecanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[2-[(4,5-dimethoxy-2-nitro-phenyl)methyl]octadecanoyl-methyl-amino]acetic acid CAS Name: 2-[[2-[(4,5-dimethoxy-2-nitrophenyl)methyl]-1-oxooctadecyl]-methylamino]acetic acid IUPAC Name: 2-[2-[(4,5-dimethoxy-2-nitrophenyl)methyl]octadecanoyl-methylamino]acetic acid Traditional Name: 2-[2-(4,5-dimethoxy-2-nitro-benzyl)octadecanoyl-methyl-amino]acetic acid Formula: C30H50N2O7 MolecularWeight: 550.7272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)C(=O)N(C)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC1=CC(=C(C=C1[N+](=O)[O-])OC)OC)C(=O)N(C)CC(=O)O

InChI

InChI=1S/C30H50N2O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(30(35)31(2)23-29(33)34)20-25-21-27(38-3)28(39-4)22-26(25)32(36)37/h21-22,24H,5-20,23H2,1-4H3,(H,33,34)