[5-[4-(4-pentylcyclohexyl)phenyl]pyrazin-2-yl] 2-azanyl-4-(2-fluoranyl-3-methyl-pentanoyl)oxy-5-nitro-benzoate

Systemtic Name: [5-[4-(4-pentylcyclohexyl)phenyl]pyrazin-2-yl] 2-azanyl-4-(2-fluoranyl-3-methyl-pentanoyl)oxy-5-nitro-benzoate Openeye Name: [5-[4-(4-pentylcyclohexyl)phenyl]pyrazin-2-yl] 2-amino-4-(2-fluoro-3-methyl-pentanoyl)oxy-5-nitro-benzoate CAS Name: 2-amino-4-(2-fluoro-3-methyl-1-oxopentoxy)-5-nitrobenzoic acid [5-[4-(4-pentylcyclohexyl)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(4-pentylcyclohexyl)phenyl]pyrazin-2-yl] 2-amino-4-(2-fluoro-3-methylpentanoyl)oxy-5-nitrobenzoate Traditional Name: 2-amino-4-(2-fluoro-3-methyl-pentanoyl)oxy-5-nitro-benzoic acid [5-[4-(4-amylcyclohexyl)phenyl]pyrazin-2-yl] ester Formula: C34H41FN4O6 MolecularWeight: 620.710943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CN=C(C=N3)OC(=O)C4=CC(=C(C=C4N)OC(=O)C(C(C)CC)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CN=C(C=N3)OC(=O)C4=CC(=C(C=C4N)OC(=O)C(C(C)CC)F)[N+](=O)[O-]

InChI

InChI=1S/C34H41FN4O6/c1-4-6-7-8-22-9-11-23(12-10-22)24-13-15-25(16-14-24)28-19-38-31(20-37-28)45-33(40)26-17-29(39(42)43)30(18-27(26)36)44-34(41)32(35)21(3)5-2/h13-23,32H,4-12,36H2,1-3H3