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

Systemtic Name: [(3S,5R,6S)-1-cyano-5-(2,2-dimethylpropanoyloxy)-6-methyl-non-8-en-3-yl] 2-methoxy-6-prop-2-enyl-benzoate Openeye Name: [(1S,3R,4S)-1-(2-cyanoethyl)-3-(2,2-dimethylpropanoyloxy)-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-(2,2-dimethyl-1-oxopropoxy)-6-methylnon-8-en-3-yl] ester IUPAC Name: [(3S,5R,6S)-1-cyano-5-(2,2-dimethylpropanoyloxy)-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)-4-methyl-3-pivaloyloxy-hept-6-enyl] ester Formula: C27H37NO5 MolecularWeight: 455.58638

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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(C)(C)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(C)(C)C

InChI

InChI=1S/C27H37NO5/c1-8-12-19(3)23(33-26(30)27(4,5)6)18-21(15-11-17-28)32-25(29)24-20(13-9-2)14-10-16-22(24)31-7/h8-10,14,16,19,21,23H,1-2,11-13,15,18H2,3-7H3/t19-,21-,23+/m0/s1