[4-(1-adamantylcarbamoylamino)cyclohexyl] 4-nitrobenzoate

Systemtic Name: [4-(1-adamantylcarbamoylamino)cyclohexyl] 4-nitrobenzoate Openeye Name: [4-(1-adamantylcarbamoylamino)cyclohexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[[(1-adamantylamino)-oxomethyl]amino]cyclohexyl] ester IUPAC Name: [4-(1-adamantylcarbamoylamino)cyclohexyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(1-adamantylcarbamoylamino)cyclohexyl] ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H31N3O5/c28-22(18-1-5-20(6-2-18)27(30)31)32-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H2,25,26,29)