[(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-27-18-14-17(15-19(28-2)21(18)29-3)23(26)30-20(16-10-6-4-7-11-16)22(25)24-12-8-5-9-13-24/h4,6-7,10-11,14-15,20H,5,8-9,12-13H2,1-3H3/t20-/m1/s1