ethanedioic acid; (2S,3R,5S,6R)-2-(furan-2-yl)-3,5-dimethyl-6-phenyl-piperidin-4-one

Systemtic Name: ethanedioic acid; (2S,3R,5S,6R)-2-(furan-2-yl)-3,5-dimethyl-6-phenyl-piperidin-4-one Openeye Name: (2S,3R,5S,6R)-2-(2-furyl)-3,5-dimethyl-6-phenyl-piperidin-4-one; oxalic acid CAS Name: (2S,3R,5S,6R)-2-(2-furanyl)-3,5-dimethyl-6-phenyl-4-piperidinone; oxalic acid IUPAC Name: (2S,3R,5S,6R)-2-(furan-2-yl)-3,5-dimethyl-6-phenylpiperidin-4-one; oxalic acid Traditional Name: (2S,3R,5S,6R)-2-(2-furyl)-3,5-dimethyl-6-phenyl-4-piperidone; oxalic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(C(C1=O)C)C2=CC=CO2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C[C@H]1[C@@H](N[C@@H]([C@H](C1=O)C)C2=CC=CO2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19NO2.C2H2O4/c1-11-15(13-7-4-3-5-8-13)18-16(12(2)17(11)19)14-9-6-10-20-14;3-1(4)2(5)6/h3-12,15-16,18H,1-2H3;(H,3,4)(H,5,6)/t11-,12+,15+,16-;/m0./s1