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

Systemtic Name: ethanedioic acid; ethyl 4-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(1-naphthylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[[1-(1-naphthalenylmethyl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[1-(1-naphthylmethyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C26H33N3O7 MolecularWeight: 499.55612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O3.C2H2O4/c1-2-30-24(29)27-16-14-26(15-17-27)23(28)20-10-12-25(13-11-20)18-21-8-5-7-19-6-3-4-9-22(19)21;3-1(4)2(5)6/h3-9,20H,2,10-18H2,1H3;(H,3,4)(H,5,6)