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ethanedioic acid; 1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane

ethanedioic acid; 1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane

Systemtic Name:ethanedioic acid; 1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane
Openeye Name:1-[1-[(2-ethoxyphenyl)methyl]-4-piperidyl]azepane; oxalic acid
CAS Name:1-[1-[(2-ethoxyphenyl)methyl]-4-piperidinyl]azepane; oxalic acid
IUPAC Name:1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane; oxalic acid
Traditional Name:1-[1-(2-ethoxybenzyl)-4-piperidyl]azepane; oxalic acid
Formula: C22H34N2O5
MolecularWeight: 406.51576
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O


Isomeric SMILES

CCOC1=CC=CC=C1CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O


InChI

InChI=1S/C20H32N2O.C2H2O4/c1-2-23-20-10-6-5-9-18(20)17-21-15-11-19(12-16-21)22-13-7-3-4-8-14-22;3-1(4)2(5)6/h5-6,9-10,19H,2-4,7-8,11-17H2,1H3;(H,3,4)(H,5,6)


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