[(3S,5R,6S)-1-cyano-6-methyl-5-oxidanyl-non-8-en-3-yl] 2-methoxy-6-prop-2-enyl-benzoate

Systemtic Name: [(3S,5R,6S)-1-cyano-6-methyl-5-oxidanyl-non-8-en-3-yl] 2-methoxy-6-prop-2-enyl-benzoate Openeye Name: [(1S,3R,4S)-1-(2-cyanoethyl)-3-hydroxy-4-methyl-hept-6-enyl] 2-allyl-6-methoxy-benzoate CAS Name: 2-methoxy-6-prop-2-enylbenzoic acid [(3S,5R,6S)-1-cyano-5-hydroxy-6-methylnon-8-en-3-yl] ester IUPAC Name: [(3S,5R,6S)-1-cyano-5-hydroxy-6-methylnon-8-en-3-yl] 2-methoxy-6-prop-2-enylbenzoate Traditional Name: 2-allyl-6-methoxy-benzoic acid [(1S,3R,4S)-1-(2-cyanoethyl)-3-hydroxy-4-methyl-hept-6-enyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)C(CC(CCC#N)OC(=O)C1=C(C=CC=C1OC)CC=C)O

Isomeric SMILES

C[C@@H](CC=C)[C@@H](C[C@H](CCC#N)OC(=O)C1=C(C=CC=C1OC)CC=C)O

InChI

InChI=1S/C22H29NO4/c1-5-9-16(3)19(24)15-18(12-8-14-23)27-22(25)21-17(10-6-2)11-7-13-20(21)26-4/h5-7,11,13,16,18-19,24H,1-2,8-10,12,15H2,3-4H3/t16-,18-,19+/m0/s1