N-[(2,3-dimethoxyphenyl)methyl]pentan-3-amine; ethanedioic acid

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]pentan-3-amine; ethanedioic acid Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]pentan-3-amine; oxalic acid CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-3-pentanamine; oxalic acid IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]pentan-3-amine; oxalic acid Traditional Name: 1-ethylpropyl(o-veratryl)amine; oxalic acid Formula: C16H25NO6 MolecularWeight: 327.3728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO2.C2H2O4/c1-5-12(6-2)15-10-11-8-7-9-13(16-3)14(11)17-4;3-1(4)2(5)6/h7-9,12,15H,5-6,10H2,1-4H3;(H,3,4)(H,5,6)