methyl (1S,2R,4R,5R)-5-butyl-4-(hydroxymethyl)-3-oxidanylidene-2-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: methyl (1S,2R,4R,5R)-5-butyl-4-(hydroxymethyl)-3-oxidanylidene-2-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: methyl (1S,2R,4R,5R)-2-allyl-5-butyl-4-(hydroxymethyl)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1S,2R,4R,5R)-5-butyl-4-(hydroxymethyl)-3-oxo-2-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid methyl ester IUPAC Name: methyl (1S,2R,4R,5R)-5-butyl-4-(hydroxymethyl)-3-oxo-2-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1S,2R,4R,5R)-2-allyl-5-butyl-3-keto-4-methylol-8-azabicyclo[3.2.1]octane-8-carboxylic acid methyl ester Formula: C17H27NO4 MolecularWeight: 309.40058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(N1C(=O)OC)C(C(=O)C2CO)CC=C

Isomeric SMILES

CCCC[C@]12CC[C@H](N1C(=O)OC)[C@H](C(=O)[C@H]2CO)CC=C

InChI

InChI=1S/C17H27NO4/c1-4-6-9-17-10-8-14(18(17)16(21)22-3)12(7-5-2)15(20)13(17)11-19/h5,12-14,19H,2,4,6-11H2,1,3H3/t12-,13-,14+,17-/m1/s1