ethanedioic acid; ethyl 1-(2-oxidanyl-2-phenyl-ethyl)piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-(2-oxidanyl-2-phenyl-ethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(2-hydroxy-2-phenyl-ethyl)piperidine-3-carboxylate; oxalic acid CAS Name: 1-(2-hydroxy-2-phenylethyl)-3-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-(2-hydroxy-2-phenylethyl)piperidine-3-carboxylate; oxalic acid Traditional Name: 1-(2-hydroxy-2-phenyl-ethyl)nipecotic acid ethyl ester; oxalic acid Formula: C18H25NO7 MolecularWeight: 367.3936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO3.C2H2O4/c1-2-20-16(19)14-9-6-10-17(11-14)12-15(18)13-7-4-3-5-8-13;3-1(4)2(5)6/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3;(H,3,4)(H,5,6)