ethanedioic acid; ethyl 4-phenyl-3,5-bis(piperidin-1-ylmethyl)-1-propyl-piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-phenyl-3,5-bis(piperidin-1-ylmethyl)-1-propyl-piperidine-4-carboxylate Openeye Name: ethyl 4-phenyl-3,5-bis(1-piperidylmethyl)-1-propyl-piperidine-4-carboxylate; oxalic acid CAS Name: oxalic acid; 4-phenyl-3,5-bis(1-piperidinylmethyl)-1-propyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-3,5-bis(piperidin-1-ylmethyl)-1-propylpiperidine-4-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-phenyl-3,5-bis(piperidinomethyl)-1-propyl-isonipecotic acid ethyl ester Formula: C31H49N3O6 MolecularWeight: 559.73726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(C(C(C1)CN2CCCCC2)(C3=CC=CC=C3)C(=O)OCC)CN4CCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN1CC(C(C(C1)CN2CCCCC2)(C3=CC=CC=C3)C(=O)OCC)CN4CCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H47N3O2.C2H2O4/c1-3-16-32-23-26(21-30-17-10-6-11-18-30)29(28(33)34-4-2,25-14-8-5-9-15-25)27(24-32)22-31-19-12-7-13-20-31;3-1(4)2(5)6/h5,8-9,14-15,26-27H,3-4,6-7,10-13,16-24H2,1-2H3;(H,3,4)(H,5,6)