ethanedioic acid; N-[(3,4,5-trimethoxyphenyl)methyl]pentan-3-amine

Systemtic Name: ethanedioic acid; N-[(3,4,5-trimethoxyphenyl)methyl]pentan-3-amine Openeye Name: oxalic acid; N-[(3,4,5-trimethoxyphenyl)methyl]pentan-3-amine CAS Name: oxalic acid; N-[(3,4,5-trimethoxyphenyl)methyl]-3-pentanamine IUPAC Name: oxalic acid; N-[(3,4,5-trimethoxyphenyl)methyl]pentan-3-amine Traditional Name: 1-ethylpropyl-(3,4,5-trimethoxybenzyl)amine; oxalic acid Formula: C17H27NO7 MolecularWeight: 357.39878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H25NO3.C2H2O4/c1-6-12(7-2)16-10-11-8-13(17-3)15(19-5)14(9-11)18-4;3-1(4)2(5)6/h8-9,12,16H,6-7,10H2,1-5H3;(H,3,4)(H,5,6)