ethanedioic acid; phenethyl (4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; phenethyl (4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate Openeye Name: oxalic acid; phenethyl (4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate CAS Name: (4R)-1-ethyl-4-phenyl-3-piperidinecarboxylic acid phenethyl ester; oxalic acid IUPAC Name: oxalic acid; phenethyl (4R)-1-ethyl-4-phenylpiperidine-3-carboxylate Traditional Name: (4R)-1-ethyl-4-phenyl-nipecotic acid phenethyl ester; oxalic acid Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C(C1)C(=O)OCCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CC[C@H](C(C1)C(=O)OCCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H27NO2.C2H2O4/c1-2-23-15-13-20(19-11-7-4-8-12-19)21(17-23)22(24)25-16-14-18-9-5-3-6-10-18;3-1(4)2(5)6/h3-12,20-21H,2,13-17H2,1H3;(H,3,4)(H,5,6)/t20-,21?;/m0./s1