[5-(4-heptoxyphenyl)pyrazin-2-yl] 2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-benzoate

Systemtic Name: [5-(4-heptoxyphenyl)pyrazin-2-yl] 2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-benzoate Openeye Name: [5-(4-heptoxyphenyl)pyrazin-2-yl] 2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-benzoate CAS Name: 2-amino-5-nitro-4-[(2R)-octan-2-yl]oxybenzoic acid [5-(4-heptoxyphenyl)-2-pyrazinyl] ester IUPAC Name: [5-(4-heptoxyphenyl)pyrazin-2-yl] 2-amino-5-nitro-4-[(2R)-octan-2-yl]oxybenzoate Traditional Name: 2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-benzoic acid [5-(4-heptoxyphenyl)pyrazin-2-yl] ester Formula: C32H42N4O6 MolecularWeight: 578.69908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)OC(=O)C3=CC(=C(C=C3N)OC(C)CCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)OC(=O)C3=CC(=C(C=C3N)O[C@H](C)CCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C32H42N4O6/c1-4-6-8-10-12-18-40-25-16-14-24(15-17-25)28-21-35-31(22-34-28)42-32(37)26-19-29(36(38)39)30(20-27(26)33)41-23(3)13-11-9-7-5-2/h14-17,19-23H,4-13,18,33H2,1-3H3/t23-/m1/s1