cyclohexyl (3S,4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate; ethanedioic acid

Systemtic Name: cyclohexyl (3S,4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate; ethanedioic acid Openeye Name: cyclohexyl (3S,4R)-1-ethyl-4-phenyl-piperidine-3-carboxylate; oxalic acid CAS Name: (3S,4R)-1-ethyl-4-phenyl-3-piperidinecarboxylic acid cyclohexyl ester; oxalic acid IUPAC Name: cyclohexyl (3S,4R)-1-ethyl-4-phenylpiperidine-3-carboxylate; oxalic acid Traditional Name: (3S,4R)-1-ethyl-4-phenyl-nipecotic acid cyclohexyl ester; oxalic acid Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C(C1)C(=O)OC2CCCCC2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CC[C@H]([C@@H](C1)C(=O)OC2CCCCC2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29NO2.C2H2O4/c1-2-21-14-13-18(16-9-5-3-6-10-16)19(15-21)20(22)23-17-11-7-4-8-12-17;3-1(4)2(5)6/h3,5-6,9-10,17-19H,2,4,7-8,11-15H2,1H3;(H,3,4)(H,5,6)/t18-,19+;/m0./s1