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

Systemtic Name: ethanedioic acid; 1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]azepane Openeye Name: 1-[1-[(4-ethoxyphenyl)methyl]-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-[(4-ethoxyphenyl)methyl]-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]azepane; oxalic acid Traditional Name: 1-[1-(4-ethoxybenzyl)-4-piperidyl]azepane; oxalic acid Formula: C22H34N2O5 MolecularWeight: 406.51576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2O.C2H2O4/c1-2-23-20-9-7-18(8-10-20)17-21-15-11-19(12-16-21)22-13-5-3-4-6-14-22;3-1(4)2(5)6/h7-10,19H,2-6,11-17H2,1H3;(H,3,4)(H,5,6)