ethanedioic acid; ethyl 1-(2-oxidanyl-3-phenylmethoxy-propyl)piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-(2-oxidanyl-3-phenylmethoxy-propyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3-benzyloxy-2-hydroxy-propyl)piperidine-4-carboxylate; oxalic acid CAS Name: 1-(2-hydroxy-3-phenylmethoxypropyl)-4-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-(2-hydroxy-3-phenylmethoxypropyl)piperidine-4-carboxylate; oxalic acid Traditional Name: 1-(3-benzoxy-2-hydroxy-propyl)isonipecotic acid ethyl ester; oxalic acid Formula: C20H29NO8 MolecularWeight: 411.44616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(COCC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(COCC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO4.C2H2O4/c1-2-23-18(21)16-8-10-19(11-9-16)12-17(20)14-22-13-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,16-17,20H,2,8-14H2,1H3;(H,3,4)(H,5,6)