[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(phenylcarbonyl)but-3-enoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(phenylcarbonyl)but-3-enoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-benzoylbut-3-enoate CAS Name: (2S)-2-benzoyl-3-butenoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-benzoylbut-3-enoate Traditional Name: (2S)-2-benzoylbut-3-enoic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C=C)C(=O)C2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C=C)C(=O)C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H28O3/c1-5-17(20(22)16-9-7-6-8-10-16)21(23)24-19-13-15(4)11-12-18(19)14(2)3/h5-10,14-15,17-19H,1,11-13H2,2-4H3/t15-,17-,18-,19+/m0/s1