[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-3-oxidanylidene-2-(phenylmethyl)butanoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-3-oxidanylidene-2-(phenylmethyl)butanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-benzyl-3-oxo-butanoate CAS Name: (2S)-3-oxo-2-(phenylmethyl)butanoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-benzyl-3-oxobutanoate Traditional Name: (2S)-2-benzyl-3-keto-butyric acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC=CC=C2)C(=O)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](CC2=CC=CC=C2)C(=O)C)C(C)C

InChI

InChI=1S/C21H30O3/c1-14(2)18-11-10-15(3)12-20(18)24-21(23)19(16(4)22)13-17-8-6-5-7-9-17/h5-9,14-15,18-20H,10-13H2,1-4H3/t15-,18-,19-,20+/m0/s1