[(1R,2S,3R,5R)-2-acetamido-5-acetyloxy-2-methyl-3-phenyl-cyclohexyl]methyl ethanoate

Systemtic Name: [(1R,2S,3R,5R)-2-acetamido-5-acetyloxy-2-methyl-3-phenyl-cyclohexyl]methyl ethanoate Openeye Name: [(1R,2S,3R,5R)-2-acetamido-5-acetoxy-2-methyl-3-phenyl-cyclohexyl]methyl acetate CAS Name: acetic acid [(1R,2S,3R,5R)-2-acetamido-5-acetyloxy-2-methyl-3-phenylcyclohexyl]methyl ester IUPAC Name: [(1R,2S,3R,5R)-2-acetamido-5-acetyloxy-2-methyl-3-phenylcyclohexyl]methyl acetate Traditional Name: acetic acid [(1R,2S,3R,5R)-2-acetamido-5-acetoxy-2-methyl-3-phenyl-cyclohexyl]methyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(CC(CC1C2=CC=CC=C2)OC(=O)C)COC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-13(22)21-20(4)17(12-25-14(2)23)10-18(26-15(3)24)11-19(20)16-8-6-5-7-9-16/h5-9,17-19H,10-12H2,1-4H3,(H,21,22)/t17-,18-,19+,20+/m0/s1