[(3S,5R,6S)-1-cyano-6-methyl-5-[(4-nitrophenyl)methoxy]non-8-en-3-yl] 2-oxidanyl-6-prop-2-enyl-benzoate

Systemtic Name: [(3S,5R,6S)-1-cyano-6-methyl-5-[(4-nitrophenyl)methoxy]non-8-en-3-yl] 2-oxidanyl-6-prop-2-enyl-benzoate Openeye Name: [(1S,3R,4S)-1-(2-cyanoethyl)-4-methyl-3-[(4-nitrophenyl)methoxy]hept-6-enyl] 2-allyl-6-hydroxy-benzoate CAS Name: 2-hydroxy-6-prop-2-enylbenzoic acid [(3S,5R,6S)-1-cyano-6-methyl-5-[(4-nitrophenyl)methoxy]non-8-en-3-yl] ester IUPAC Name: [(3S,5R,6S)-1-cyano-6-methyl-5-[(4-nitrophenyl)methoxy]non-8-en-3-yl] 2-hydroxy-6-prop-2-enylbenzoate Traditional Name: 2-allyl-6-hydroxy-benzoic acid [(1S,3R,4S)-1-(2-cyanoethyl)-4-methyl-3-(4-nitrobenzyl)oxy-hept-6-enyl] ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)C(CC(CCC#N)OC(=O)C1=C(C=CC=C1O)CC=C)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](CC=C)[C@@H](C[C@H](CCC#N)OC(=O)C1=C(C=CC=C1O)CC=C)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C28H32N2O6/c1-4-8-20(3)26(35-19-21-13-15-23(16-14-21)30(33)34)18-24(11-7-17-29)36-28(32)27-22(9-5-2)10-6-12-25(27)31/h4-6,10,12-16,20,24,26,31H,1-2,7-9,11,18-19H2,3H3/t20-,24-,26+/m0/s1