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

Systemtic Name: azepan-1-yl-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid Openeye Name: azepan-1-yl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidyl]methanone; oxalic acid CAS Name: 1-azepanyl-[1-[(2,3,4-trimethoxyphenyl)methyl]-3-piperidinyl]methanone; oxalic acid IUPAC Name: azepan-1-yl-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone; oxalic acid Traditional Name: azepan-1-yl-[1-(2,3,4-trimethoxybenzyl)-3-piperidyl]methanone; oxalic acid Formula: C24H36N2O8 MolecularWeight: 480.55124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCCC3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCCC3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H34N2O4.C2H2O4/c1-26-19-11-10-17(20(27-2)21(19)28-3)15-23-12-8-9-18(16-23)22(25)24-13-6-4-5-7-14-24;3-1(4)2(5)6/h10-11,18H,4-9,12-16H2,1-3H3;(H,3,4)(H,5,6)