ethanedioic acid; N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]butan-1-amine

Systemtic Name: ethanedioic acid; N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]butan-1-amine Openeye Name: N-[3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]butan-1-amine; oxalic acid CAS Name: oxalic acid; N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-1-butanamine IUPAC Name: oxalic acid; N-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]butan-1-amine Traditional Name: butyl-[3-(4-cumylphenoxy)propyl]amine; oxalic acid Formula: C24H33NO5 MolecularWeight: 415.52252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H31NO.C2H2O4/c1-4-5-16-23-17-9-18-24-21-14-12-20(13-15-21)22(2,3)19-10-7-6-8-11-19;3-1(4)2(5)6/h6-8,10-15,23H,4-5,9,16-18H2,1-3H3;(H,3,4)(H,5,6)