methyl (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[4-(4-nitrophenyl)butyl]-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[4-(4-nitrophenyl)butyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[4-(4-nitrophenyl)butyl]-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[4-(4-nitrophenyl)butyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[4-(4-nitrophenyl)butyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1S,3S,4S,5R)-3-(4-chlorophenyl)-8-[4-(4-nitrophenyl)butyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CCCCC3=CC=C(C=C3)[N+](=O)[O-])CC1C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCCC3=CC=C(C=C3)[N+](=O)[O-])C[C@@H]1C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN2O4/c1-32-25(29)24-22(18-7-9-19(26)10-8-18)16-21-13-14-23(24)27(21)15-3-2-4-17-5-11-20(12-6-17)28(30)31/h5-12,21-24H,2-4,13-16H2,1H3/t21-,22+,23+,24-/m0/s1