[(3R,4R)-3-(2,6-dimethoxy-4-pentyl-phenyl)-4-prop-1-en-2-yl-cyclohexen-1-yl]methyl ethanoate

Systemtic Name: [(3R,4R)-3-(2,6-dimethoxy-4-pentyl-phenyl)-4-prop-1-en-2-yl-cyclohexen-1-yl]methyl ethanoate Openeye Name: [(3R,4R)-3-(2,6-dimethoxy-4-pentyl-phenyl)-4-isopropenyl-cyclohexen-1-yl]methyl acetate CAS Name: acetic acid [(3R,4R)-3-(2,6-dimethoxy-4-pentylphenyl)-4-(1-methylethenyl)-1-cyclohexenyl]methyl ester IUPAC Name: [(3R,4R)-3-(2,6-dimethoxy-4-pentylphenyl)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl acetate Traditional Name: acetic acid [(3R,4R)-3-(4-amyl-2,6-dimethoxy-phenyl)-4-isopropenyl-cyclohexen-1-yl]methyl ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC)C2C=C(CCC2C(=C)C)COC(=O)C)OC

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC)[C@@H]2C=C(CC[C@H]2C(=C)C)COC(=O)C)OC

InChI

InChI=1S/C25H36O4/c1-7-8-9-10-19-14-23(27-5)25(24(15-19)28-6)22-13-20(16-29-18(4)26)11-12-21(22)17(2)3/h13-15,21-22H,2,7-12,16H2,1,3-6H3/t21-,22+/m0/s1