ethyl (E)-3-[(1S,2S,3S,6R)-2-ethynyl-1,6-dimethyl-2-oxidanyl-3-propan-2-yl-cyclohexyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[(1S,2S,3S,6R)-2-ethynyl-1,6-dimethyl-2-oxidanyl-3-propan-2-yl-cyclohexyl]prop-2-enoate Openeye Name: ethyl (E)-3-[(1S,2S,3S,6R)-2-ethynyl-2-hydroxy-3-isopropyl-1,6-dimethyl-cyclohexyl]prop-2-enoate CAS Name: (E)-3-[(1S,2S,3S,6R)-2-ethynyl-2-hydroxy-1,6-dimethyl-3-propan-2-ylcyclohexyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(1S,2S,3S,6R)-2-ethynyl-2-hydroxy-1,6-dimethyl-3-propan-2-ylcyclohexyl]prop-2-enoate Traditional Name: (E)-3-[(1S,2S,3S,6R)-2-ethynyl-2-hydroxy-3-isopropyl-1,6-dimethyl-cyclohexyl]acrylic acid ethyl ester Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1(C(CCC(C1(C#C)O)C(C)C)C)C

Isomeric SMILES

CCOC(=O)/C=C/[C@@]1([C@@H](CC[C@H]([C@@]1(C#C)O)C(C)C)C)C

InChI

InChI=1S/C18H28O3/c1-7-18(20)15(13(3)4)10-9-14(5)17(18,6)12-11-16(19)21-8-2/h1,11-15,20H,8-10H2,2-6H3/b12-11+/t14-,15+,17-,18-/m1/s1