methyl (1S,5R,6R)-6-methanoyl-5-(2-phenylmethoxyethyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,5R,6R)-6-methanoyl-5-(2-phenylmethoxyethyl)cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,5R,6R)-5-(2-benzyloxyethyl)-6-formyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,5R,6R)-6-formyl-5-(2-phenylmethoxyethyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,5R,6R)-6-formyl-5-(2-phenylmethoxyethyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,5R,6R)-5-(2-benzoxyethyl)-6-formyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C18H22O4 MolecularWeight: 302.36488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CC(C1C=O)CCOCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CC=C[C@H]([C@H]1C=O)CCOCC2=CC=CC=C2

InChI

InChI=1S/C18H22O4/c1-21-18(20)16-9-5-8-15(17(16)12-19)10-11-22-13-14-6-3-2-4-7-14/h2-8,12,15-17H,9-11,13H2,1H3/t15-,16-,17+/m0/s1