(4-nitrophenyl) N-[2-[(5-chloranyl-2-methoxy-phenyl)amino]ethyl]-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamate

Systemtic Name: (4-nitrophenyl) N-[2-[(5-chloranyl-2-methoxy-phenyl)amino]ethyl]-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamate Openeye Name: (4-nitrophenyl) N-[2-(5-chloro-2-methoxy-anilino)ethyl]-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamate CAS Name: N-[2-(5-chloro-2-methoxyanilino)ethyl]-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-[2-(5-chloro-2-methoxyanilino)ethyl]-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamate Traditional Name: N-[2-(5-chloro-2-methoxy-anilino)ethyl]-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]carbamic acid (4-nitrophenyl) ester Formula: C25H31ClN4O5 MolecularWeight: 502.99044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCCC1CC(C2)N(CCNC3=C(C=CC(=C3)Cl)OC)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1[C@@H]2CCC[C@H]1CC(C2)N(CCNC3=C(C=CC(=C3)Cl)OC)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H31ClN4O5/c1-28-19-4-3-5-20(28)16-21(15-19)29(13-12-27-23-14-17(26)6-11-24(23)34-2)25(31)35-22-9-7-18(8-10-22)30(32)33/h6-11,14,19-21,27H,3-5,12-13,15-16H2,1-2H3/t19-,20+,21?