ethanedioic acid; 1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[1-[(4-ethoxyphenyl)methyl]-4-piperidyl]piperazine; oxalic acid CAS Name: 1-[1-[(4-ethoxyphenyl)methyl]-4-piperidinyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[1-(4-ethoxybenzyl)-4-piperidyl]piperazine; oxalic acid Formula: C27H37N3O5 MolecularWeight: 483.59978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H35N3O.C2H2O4/c1-2-29-25-10-8-23(9-11-25)21-26-14-12-24(13-15-26)28-18-16-27(17-19-28)20-22-6-4-3-5-7-22;3-1(4)2(5)6/h3-11,24H,2,12-21H2,1H3;(H,3,4)(H,5,6)