[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate CAS Name: 2-cyano-2-[(2-ethynylphenyl)methyl]-4-pentenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-cyano-2-[(2-ethynylphenyl)methyl]pent-4-enoate Traditional Name: 2-cyano-2-(2-ethynylbenzyl)pent-4-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H31NO2 MolecularWeight: 377.51914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC=C)(CC2=CC=CC=C2C#C)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(CC=C)(CC2=CC=CC=C2C#C)C#N)C(C)C

InChI

InChI=1S/C25H31NO2/c1-6-14-25(17-26,16-21-11-9-8-10-20(21)7-2)24(27)28-23-15-19(5)12-13-22(23)18(3)4/h2,6,8-11,18-19,22-23H,1,12-16H2,3-5H3/t19-,22+,23-,25?/m1/s1