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

Systemtic Name: [(3S,5S,6S)-5-acetyloxy-1-cyano-6-methyl-non-8-en-3-yl] 2-methoxy-6-prop-2-enyl-benzoate Openeye Name: [(1S,3S,4S)-3-acetoxy-1-(2-cyanoethyl)-4-methyl-hept-6-enyl] 2-allyl-6-methoxy-benzoate CAS Name: 2-methoxy-6-prop-2-enylbenzoic acid [(3S,5S,6S)-5-acetyloxy-1-cyano-6-methylnon-8-en-3-yl] ester IUPAC Name: [(3S,5S,6S)-5-acetyloxy-1-cyano-6-methylnon-8-en-3-yl] 2-methoxy-6-prop-2-enylbenzoate Traditional Name: 2-allyl-6-methoxy-benzoic acid [(1S,3S,4S)-3-acetoxy-1-(2-cyanoethyl)-4-methyl-hept-6-enyl] ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5/c1-6-10-17(3)22(29-18(4)26)16-20(13-9-15-25)30-24(27)23-19(11-7-2)12-8-14-21(23)28-5/h6-8,12,14,17,20,22H,1-2,9-11,13,16H2,3-5H3/t17-,20-,22-/m0/s1