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

Systemtic Name: azepan-1-yl-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid Openeye Name: azepan-1-yl-[1-[(2,3-dimethoxyphenyl)methyl]-3-piperidyl]methanone; oxalic acid CAS Name: 1-azepanyl-[1-[(2,3-dimethoxyphenyl)methyl]-3-piperidinyl]methanone; oxalic acid IUPAC Name: azepan-1-yl-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]methanone; oxalic acid Traditional Name: azepan-1-yl-(1-o-veratryl-3-piperidyl)methanone; oxalic acid Formula: C23H34N2O7 MolecularWeight: 450.52526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H32N2O3.C2H2O4/c1-25-19-11-7-9-17(20(19)26-2)15-22-12-8-10-18(16-22)21(24)23-13-5-3-4-6-14-23;3-1(4)2(5)6/h7,9,11,18H,3-6,8,10,12-16H2,1-2H3;(H,3,4)(H,5,6)