[(1R,2R,3S)-2-acetamido-3-(4-methoxyphenyl)-5-oxidanylidene-cyclohexyl]methyl ethanoate

Systemtic Name: [(1R,2R,3S)-2-acetamido-3-(4-methoxyphenyl)-5-oxidanylidene-cyclohexyl]methyl ethanoate Openeye Name: [(1R,2R,3S)-2-acetamido-3-(4-methoxyphenyl)-5-oxo-cyclohexyl]methyl acetate CAS Name: acetic acid [(1R,2R,3S)-2-acetamido-3-(4-methoxyphenyl)-5-oxocyclohexyl]methyl ester IUPAC Name: [(1R,2R,3S)-2-acetamido-3-(4-methoxyphenyl)-5-oxocyclohexyl]methyl acetate Traditional Name: acetic acid [(1R,2R,3S)-2-acetamido-5-keto-3-(4-methoxyphenyl)cyclohexyl]methyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=O)CC1C2=CC=C(C=C2)OC)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-11(20)19-18-14(10-24-12(2)21)8-15(22)9-17(18)13-4-6-16(23-3)7-5-13/h4-7,14,17-18H,8-10H2,1-3H3,(H,19,20)/t14-,17-,18-/m0/s1