5-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethoxy]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethoxy]benzene-1,3-dicarboxylate Openeye Name: 5-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethoxy]benzene-1,3-dicarboxylate IUPAC Name: 5-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[(1S)-2-keto-1-phenyl-2-piperidino-ethoxy]isophthalate Formula: C21H19NO6-2 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)OC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)OC3=CC(=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H21NO6/c23-19(22-9-5-2-6-10-22)18(14-7-3-1-4-8-14)28-17-12-15(20(24)25)11-16(13-17)21(26)27/h1,3-4,7-8,11-13,18H,2,5-6,9-10H2,(H,24,25)(H,26,27)/p-2/t18-/m0/s1