ethanedioic acid; N-methyl-3-(2,3,5-trimethylphenoxy)propan-1-amine

Systemtic Name: ethanedioic acid; N-methyl-3-(2,3,5-trimethylphenoxy)propan-1-amine Openeye Name: N-methyl-3-(2,3,5-trimethylphenoxy)propan-1-amine; oxalic acid CAS Name: N-methyl-3-(2,3,5-trimethylphenoxy)-1-propanamine; oxalic acid IUPAC Name: N-methyl-3-(2,3,5-trimethylphenoxy)propan-1-amine; oxalic acid Traditional Name: methyl-[3-(2,3,5-trimethylphenoxy)propyl]amine; oxalic acid Formula: C15H23NO5 MolecularWeight: 297.34682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21NO.C2H2O4/c1-10-8-11(2)12(3)13(9-10)15-7-5-6-14-4;3-1(4)2(5)6/h8-9,14H,5-7H2,1-4H3;(H,3,4)(H,5,6)