ethanedioic acid; ethyl 3,5-bis[(dipropylamino)methyl]-4-phenyl-1-propyl-piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 3,5-bis[(dipropylamino)methyl]-4-phenyl-1-propyl-piperidine-4-carboxylate Openeye Name: ethyl 3,5-bis[(dipropylamino)methyl]-4-phenyl-1-propyl-piperidine-4-carboxylate; oxalic acid CAS Name: 3,5-bis[(dipropylamino)methyl]-4-phenyl-1-propyl-4-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3,5-bis[(dipropylamino)methyl]-4-phenyl-1-propylpiperidine-4-carboxylate; oxalic acid Traditional Name: 3,5-bis[(dipropylamino)methyl]-4-phenyl-1-propyl-isonipecotic acid ethyl ester; oxalic acid Formula: C33H57N3O6 MolecularWeight: 591.82218

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(C(C(C1)CN(CCC)CCC)(C2=CC=CC=C2)C(=O)OCC)CN(CCC)CCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN1CC(C(C(C1)CN(CCC)CCC)(C2=CC=CC=C2)C(=O)OCC)CN(CCC)CCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H55N3O2.C2H2O4/c1-7-18-32(19-8-2)23-28-25-34(22-11-5)26-29(24-33(20-9-3)21-10-4)31(28,30(35)36-12-6)27-16-14-13-15-17-27;3-1(4)2(5)6/h13-17,28-29H,7-12,18-26H2,1-6H3;(H,3,4)(H,5,6)