[(1S,6R)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-yl] 4-methoxybenzoate

Systemtic Name: [(1S,6R)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-yl] 4-methoxybenzoate Openeye Name: [(1S,6R)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(1S,6R)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-yl] ester IUPAC Name: [(1S,6R)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S,6R)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-yl] ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC2CCCCC(C1)C2OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)N1C[C@H]2CCCC[C@@H](C1)C2OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H31NO3/c1-21(2,3)22-13-16-7-5-6-8-17(14-22)19(16)25-20(23)15-9-11-18(24-4)12-10-15/h9-12,16-17,19H,5-8,13-14H2,1-4H3/t16-,17+,19?