ethanedioic acid; 1-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]azepane

Systemtic Name: ethanedioic acid; 1-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]azepane Openeye Name: 1-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-piperidyl]azepane; oxalic acid CAS Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinyl]azepane; oxalic acid IUPAC Name: 1-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]azepane; oxalic acid Traditional Name: 1-[1-(4-benzoxy-3-methoxy-benzyl)-4-piperidyl]azepane; oxalic acid Formula: C28H38N2O6 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)N3CCCCCC3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)N3CCCCCC3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H36N2O2.C2H2O4/c1-29-26-19-23(11-12-25(26)30-21-22-9-5-4-6-10-22)20-27-17-13-24(14-18-27)28-15-7-2-3-8-16-28;3-1(4)2(5)6/h4-6,9-12,19,24H,2-3,7-8,13-18,20-21H2,1H3;(H,3,4)(H,5,6)