ethanedioic acid; ethyl 1-[3-(4-methylphenoxy)-2-oxidanyl-propyl]piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[3-(4-methylphenoxy)-2-oxidanyl-propyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidine-3-carboxylate; oxalic acid CAS Name: 1-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidine-3-carboxylate; oxalic acid Traditional Name: 1-[2-hydroxy-3-(4-methylphenoxy)propyl]nipecotic acid ethyl ester; oxalic acid Formula: C20H29NO8 MolecularWeight: 411.44616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(COC2=CC=C(C=C2)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(COC2=CC=C(C=C2)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO4.C2H2O4/c1-3-22-18(21)15-5-4-10-19(11-15)12-16(20)13-23-17-8-6-14(2)7-9-17;3-1(4)2(5)6/h6-9,15-16,20H,3-5,10-13H2,1-2H3;(H,3,4)(H,5,6)