ethanedioic acid; ethyl 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(1-naphthylmethyl)piperidine-4-carbonyl]piperidine-4-carboxylate; oxalic acid CAS Name: 1-[[1-(1-naphthalenylmethyl)-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-[1-(1-naphthylmethyl)isonipecotoyl]isonipecotic acid ethyl ester; oxalic acid Formula: C27H34N2O7 MolecularWeight: 498.56806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O3.C2H2O4/c1-2-30-25(29)21-12-16-27(17-13-21)24(28)20-10-14-26(15-11-20)18-22-8-5-7-19-6-3-4-9-23(19)22;3-1(4)2(5)6/h3-9,20-21H,2,10-18H2,1H3;(H,3,4)(H,5,6)