[4-[4-(11-prop-2-enoyloxyundecoxy)phenyl]phenyl] 2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-benzoate

Systemtic Name: [4-[4-(11-prop-2-enoyloxyundecoxy)phenyl]phenyl] 2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-benzoate Openeye Name: [4-[4-(11-prop-2-enoyloxyundecoxy)phenyl]phenyl] 2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-benzoate CAS Name: 2-amino-5-nitro-4-[(2R)-octan-2-yl]oxybenzoic acid [4-[4-[11-(1-oxoprop-2-enoxy)undecoxy]phenyl]phenyl] ester IUPAC Name: [4-[4-(11-prop-2-enoyloxyundecoxy)phenyl]phenyl] 2-amino-5-nitro-4-[(2R)-octan-2-yl]oxybenzoate Traditional Name: 2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-benzoic acid [4-[4-(11-acryloyloxyundecoxy)phenyl]phenyl] ester Formula: C41H54N2O8 MolecularWeight: 702.87606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C=C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@@H](C)OC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCCCCCCOC(=O)C=C)[N+](=O)[O-]

InChI

InChI=1S/C41H54N2O8/c1-4-6-7-15-18-31(3)50-39-30-37(42)36(29-38(39)43(46)47)41(45)51-35-25-21-33(22-26-35)32-19-23-34(24-20-32)48-27-16-13-11-9-8-10-12-14-17-28-49-40(44)5-2/h5,19-26,29-31H,2,4,6-18,27-28,42H2,1,3H3/t31-/m1/s1