[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [(1S)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C25H31NO6/c1-29-20-16-18(17-21(30-2)24(20)31-3)12-13-22(27)32-23(19-10-6-4-7-11-19)25(28)26-14-8-5-9-15-26/h4,6-7,10-11,16-17,23H,5,8-9,12-15H2,1-3H3/t23-/m0/s1