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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 5-azanyl-2-nitro-4-[(2R)-octan-2-yl]oxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 5-amino-4-[(1R)-1-methylheptoxy]-2-nitro-benzoate CAS Name: 5-amino-2-nitro-4-[(2R)-octan-2-yl]oxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 5-amino-2-nitro-4-[(2R)-octan-2-yl]oxybenzoate Traditional Name: 5-amino-4-[(1R)-1-methylheptoxy]-2-nitro-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C32H42N4O5 MolecularWeight: 562.69968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC(C)CCCCCC)N

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3[N+](=O)[O-])O[C@H](C)CCCCCC)N

InChI

InChI=1S/C32H42N4O5/c1-4-6-8-10-12-14-24-21-34-31(35-22-24)25-15-17-26(18-16-25)41-32(37)27-19-28(33)30(20-29(27)36(38)39)40-23(3)13-11-9-7-5-2/h15-23H,4-14,33H2,1-3H3/t23-/m1/s1