2-(1-adamantyl)ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate

Systemtic Name: 2-(1-adamantyl)ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate Openeye Name: 2-(1-adamantyl)ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate CAS Name: 4-(4-nitrophenyl)-1-piperazinecarboxylic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-nitrophenyl)piperazine-1-carboxylic acid 2-(1-adamantyl)ethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O4/c27-22(30-10-5-23-14-17-11-18(15-23)13-19(12-17)16-23)25-8-6-24(7-9-25)20-1-3-21(4-2-20)26(28)29/h1-4,17-19H,5-16H2