methyl (1S,3S,4S,5R)-3-(4-propylphenyl)-8-[(E)-3-tributylstannylprop-2-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1S,3S,4S,5R)-3-(4-propylphenyl)-8-[(E)-3-tributylstannylprop-2-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1S,3S,4S,5R)-3-(4-propylphenyl)-8-[(E)-3-tributylstannylallyl]-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1S,3S,4S,5R)-3-(4-propylphenyl)-8-[(E)-3-tributylstannylprop-2-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,3S,4S,5R)-3-(4-propylphenyl)-8-[(E)-3-tributylstannylprop-2-enyl]-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1S,3S,4S,5R)-3-(4-propylphenyl)-8-[(E)-3-tributylstannylallyl]-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C33H55NO2Sn MolecularWeight: 616.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn](CCCC)(CCCC)C=CCN1C2CCC1C(C(C2)C3=CC=C(C=C3)CCC)C(=O)OC

Isomeric SMILES

CCCC[Sn](CCCC)(CCCC)/C=C/CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)CCC)C(=O)OC

InChI

InChI=1S/C21H28NO2.3C4H9.Sn/c1-4-6-15-7-9-16(10-8-15)18-14-17-11-12-19(22(17)13-5-2)20(18)21(23)24-3;3*1-3-4-2;/h2,5,7-10,17-20H,4,6,11-14H2,1,3H3;3*1,3-4H2,2H3;/t17-,18+,19+,20-;;;;/m0..../s1