ethanedioic acid; N-[3-(4-methylphenoxy)propyl]butan-2-amine

Systemtic Name: ethanedioic acid; N-[3-(4-methylphenoxy)propyl]butan-2-amine Openeye Name: N-[3-(4-methylphenoxy)propyl]butan-2-amine; oxalic acid CAS Name: N-[3-(4-methylphenoxy)propyl]-2-butanamine; oxalic acid IUPAC Name: N-[3-(4-methylphenoxy)propyl]butan-2-amine; oxalic acid Traditional Name: 3-(4-methylphenoxy)propyl-sec-butyl-amine; oxalic acid Formula: C16H25NO5 MolecularWeight: 311.3734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCOC1=CC=C(C=C1)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCCOC1=CC=C(C=C1)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H23NO.C2H2O4/c1-4-13(3)15-10-5-11-16-14-8-6-12(2)7-9-14;3-1(4)2(5)6/h6-9,13,15H,4-5,10-11H2,1-3H3;(H,3,4)(H,5,6)