ethanedioic acid; 1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]azepane

Systemtic Name: ethanedioic acid; 1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]azepane Openeye Name: oxalic acid; 1-[1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidyl]azepane CAS Name: oxalic acid; 1-[1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidinyl]azepane IUPAC Name: oxalic acid; 1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]azepane Traditional Name: oxalic acid; 1-[1-(2,3,4-trimethoxybenzyl)-4-piperidyl]azepane Formula: C23H36N2O7 MolecularWeight: 452.54114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCC(CC2)N3CCCCCC3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCC(CC2)N3CCCCCC3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34N2O3.C2H2O4/c1-24-19-9-8-17(20(25-2)21(19)26-3)16-22-14-10-18(11-15-22)23-12-6-4-5-7-13-23;3-1(4)2(5)6/h8-9,18H,4-7,10-16H2,1-3H3;(H,3,4)(H,5,6)