methyl (1R,2S,3S)-2-[2-(3-methoxyphenyl)ethyl]-1-methyl-3-oxidanyl-3-prop-2-enyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S,3S)-2-[2-(3-methoxyphenyl)ethyl]-1-methyl-3-oxidanyl-3-prop-2-enyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S,3S)-3-allyl-3-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-methyl-cyclohexanecarboxylate CAS Name: (1R,2S,3S)-3-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-methyl-3-prop-2-enyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3S)-3-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-methyl-3-prop-2-enylcyclohexane-1-carboxylate Traditional Name: (1R,2S,3S)-3-allyl-3-hydroxy-2-[2-(3-methoxyphenyl)ethyl]-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O4/c1-5-12-21(23)14-7-13-20(2,19(22)25-4)18(21)11-10-16-8-6-9-17(15-16)24-3/h5-6,8-9,15,18,23H,1,7,10-14H2,2-4H3/t18-,20+,21+/m0/s1