ethanedioic acid; 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: ethanedioic acid; 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane; oxalic acid CAS Name: 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane; oxalic acid IUPAC Name: 1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepane; oxalic acid Traditional Name: 1-methyl-4-(2,3,4-trimethoxybenzyl)-1,4-diazepane; oxalic acid Formula: C18H28N2O7 MolecularWeight: 384.42412

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N2O3.C2H2O4/c1-17-8-5-9-18(11-10-17)12-13-6-7-14(19-2)16(21-4)15(13)20-3;3-1(4)2(5)6/h6-7H,5,8-12H2,1-4H3;(H,3,4)(H,5,6)