methyl (1R,2S,3S)-2-[2-(2-bromanyl-5-methoxy-phenyl)ethyl]-1-methyl-3-oxidanyl-3-prop-2-enyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S,3S)-2-[2-(2-bromanyl-5-methoxy-phenyl)ethyl]-1-methyl-3-oxidanyl-3-prop-2-enyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S,3S)-3-allyl-2-[2-(2-bromo-5-methoxy-phenyl)ethyl]-3-hydroxy-1-methyl-cyclohexanecarboxylate CAS Name: (1R,2S,3S)-2-[2-(2-bromo-5-methoxyphenyl)ethyl]-3-hydroxy-1-methyl-3-prop-2-enyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3S)-2-[2-(2-bromo-5-methoxyphenyl)ethyl]-3-hydroxy-1-methyl-3-prop-2-enylcyclohexane-1-carboxylate Traditional Name: (1R,2S,3S)-3-allyl-2-[2-(2-bromo-5-methoxy-phenyl)ethyl]-3-hydroxy-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C21H29BrO4 MolecularWeight: 425.35656

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CCC2=C(C=CC(=C2)OC)Br)(CC=C)O)C(=O)OC

Isomeric SMILES

C[C@]1(CCC[C@@]([C@H]1CCC2=C(C=CC(=C2)OC)Br)(CC=C)O)C(=O)OC

InChI

InChI=1S/C21H29BrO4/c1-5-11-21(24)13-6-12-20(2,19(23)26-4)18(21)10-7-15-14-16(25-3)8-9-17(15)22/h5,8-9,14,18,24H,1,6-7,10-13H2,2-4H3/t18-,20+,21+/m0/s1