(4-undecoxyphenyl) 4-[2-(dimethylamino)-5-nitro-4-octan-2-yloxy-phenyl]benzoate

Systemtic Name: (4-undecoxyphenyl) 4-[2-(dimethylamino)-5-nitro-4-octan-2-yloxy-phenyl]benzoate Openeye Name: (4-undecoxyphenyl) 4-[2-(dimethylamino)-4-(1-methylheptoxy)-5-nitro-phenyl]benzoate CAS Name: 4-[2-(dimethylamino)-5-nitro-4-octan-2-yloxyphenyl]benzoic acid (4-undecoxyphenyl) ester IUPAC Name: (4-undecoxyphenyl) 4-[2-(dimethylamino)-5-nitro-4-octan-2-yloxyphenyl]benzoate Traditional Name: 4-[2-(dimethylamino)-4-(1-methylheptoxy)-5-nitro-phenyl]benzoic acid (4-undecoxyphenyl) ester Formula: C40H56N2O6 MolecularWeight: 660.88244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3N(C)C)OC(C)CCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3N(C)C)OC(C)CCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C40H56N2O6/c1-6-8-10-12-13-14-15-16-18-28-46-34-24-26-35(27-25-34)48-40(43)33-22-20-32(21-23-33)36-29-38(42(44)45)39(30-37(36)41(4)5)47-31(3)19-17-11-9-7-2/h20-27,29-31H,6-19,28H2,1-5H3