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

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2,3-diphenylpropanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2,3-diphenylpropanoate CAS Name: (2S)-2,3-diphenylpropanoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2,3-diphenylpropanoate Traditional Name: (2S)-2,3-diphenylpropionic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H32O2 MolecularWeight: 364.52038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](CC2=CC=CC=C2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H32O2/c1-18(2)22-15-14-19(3)16-24(22)27-25(26)23(21-12-8-5-9-13-21)17-20-10-6-4-7-11-20/h4-13,18-19,22-24H,14-17H2,1-3H3/t19-,22-,23-,24+/m0/s1