(4-undec-10-enoxyphenyl) 4-[2-(dimethylamino)-5-nitro-4-[(2R)-octan-2-yl]oxy-phenyl]benzoate

Systemtic Name: (4-undec-10-enoxyphenyl) 4-[2-(dimethylamino)-5-nitro-4-[(2R)-octan-2-yl]oxy-phenyl]benzoate Openeye Name: (4-undec-10-enoxyphenyl) 4-[2-(dimethylamino)-4-[(1R)-1-methylheptoxy]-5-nitro-phenyl]benzoate CAS Name: 4-[2-(dimethylamino)-5-nitro-4-[(2R)-octan-2-yl]oxyphenyl]benzoic acid (4-undec-10-enoxyphenyl) ester IUPAC Name: (4-undec-10-enoxyphenyl) 4-[2-(dimethylamino)-5-nitro-4-[(2R)-octan-2-yl]oxyphenyl]benzoate Traditional Name: 4-[2-(dimethylamino)-4-[(1R)-1-methylheptoxy]-5-nitro-phenyl]benzoic acid (4-undec-10-enoxyphenyl) ester Formula: C40H54N2O6 MolecularWeight: 658.86656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C(=C1)N(C)C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCCC=C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@@H](C)OC1=C(C=C(C(=C1)N(C)C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCCCCCCCCC=C)[N+](=O)[O-]

InChI

InChI=1S/C40H54N2O6/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/h6,20-27,29-31H,1,7-19,28H2,2-5H3/t31-/m1/s1