ethanedioic acid; ethyl 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate; oxalic acid CAS Name: 1-[[1-[(4-ethylphenyl)methyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-[1-(4-ethylbenzyl)isonipecotoyl]isonipecotic acid ethyl ester; oxalic acid Formula: C25H36N2O7 MolecularWeight: 476.56254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCC(CC3)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H34N2O3.C2H2O4/c1-3-18-5-7-19(8-6-18)17-24-13-9-20(10-14-24)22(26)25-15-11-21(12-16-25)23(27)28-4-2;3-1(4)2(5)6/h5-8,20-21H,3-4,9-17H2,1-2H3;(H,3,4)(H,5,6)