[5-[4-(4-pentylcyclohexyl)phenyl]pyrazin-2-yl] 5-azanyl-4-(2-methylbutoxy)-2-nitro-benzoate

Systemtic Name: [5-[4-(4-pentylcyclohexyl)phenyl]pyrazin-2-yl] 5-azanyl-4-(2-methylbutoxy)-2-nitro-benzoate Openeye Name: [5-[4-(4-pentylcyclohexyl)phenyl]pyrazin-2-yl] 5-amino-4-(2-methylbutoxy)-2-nitro-benzoate CAS Name: 5-amino-4-(2-methylbutoxy)-2-nitrobenzoic acid [5-[4-(4-pentylcyclohexyl)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(4-pentylcyclohexyl)phenyl]pyrazin-2-yl] 5-amino-4-(2-methylbutoxy)-2-nitrobenzoate Traditional Name: 5-amino-4-(2-methylbutoxy)-2-nitro-benzoic acid [5-[4-(4-amylcyclohexyl)phenyl]pyrazin-2-yl] ester Formula: C33H42N4O5 MolecularWeight: 574.71038

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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=C4[N+](=O)[O-])OCC(C)CC)N

Isomeric SMILES

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

InChI

InChI=1S/C33H42N4O5/c1-4-6-7-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)29-19-36-32(20-35-29)42-33(38)27-17-28(34)31(18-30(27)37(39)40)41-21-22(3)5-2/h13-20,22-24H,4-12,21,34H2,1-3H3