[(2S,3R)-2-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)piperidin-3-yl] 4-methoxybenzoate

Systemtic Name: [(2S,3R)-2-(1-methoxy-2-methyl-1-oxidanylidene-propan-2-yl)piperidin-3-yl] 4-methoxybenzoate Openeye Name: [(2S,3R)-2-(2-methoxy-1,1-dimethyl-2-oxo-ethyl)-3-piperidyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S,3R)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-3-piperidinyl] ester IUPAC Name: [(2S,3R)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)piperidin-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2S,3R)-2-(2-keto-2-methoxy-1,1-dimethyl-ethyl)-3-piperidyl] ester Formula: C18H25NO5 MolecularWeight: 335.3948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C(CCCN1)OC(=O)C2=CC=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CC(C)([C@H]1[C@@H](CCCN1)OC(=O)C2=CC=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C18H25NO5/c1-18(2,17(21)23-4)15-14(6-5-11-19-15)24-16(20)12-7-9-13(22-3)10-8-12/h7-10,14-15,19H,5-6,11H2,1-4H3/t14-,15-/m1/s1