2,6-dimethoxy-4-[(pentan-3-ylamino)methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[(pentan-3-ylamino)methyl]phenol; ethanedioic acid Openeye Name: 4-[(1-ethylpropylamino)methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[(pentan-3-ylamino)methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[(pentan-3-ylamino)methyl]phenol; oxalic acid Traditional Name: 4-[(1-ethylpropylamino)methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C16H25NO7 MolecularWeight: 343.3722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO3.C2H2O4/c1-5-11(6-2)15-9-10-7-12(17-3)14(16)13(8-10)18-4;3-1(4)2(5)6/h7-8,11,15-16H,5-6,9H2,1-4H3;(H,3,4)(H,5,6)