N-[4-(2,4-dimethylphenoxy)butyl]-2,3-dimethyl-cyclohexan-1-amine; ethanedioic acid

Systemtic Name: N-[4-(2,4-dimethylphenoxy)butyl]-2,3-dimethyl-cyclohexan-1-amine; ethanedioic acid Openeye Name: N-[4-(2,4-dimethylphenoxy)butyl]-2,3-dimethyl-cyclohexanamine; oxalic acid CAS Name: N-[4-(2,4-dimethylphenoxy)butyl]-2,3-dimethyl-1-cyclohexanamine; oxalic acid IUPAC Name: N-[4-(2,4-dimethylphenoxy)butyl]-2,3-dimethylcyclohexan-1-amine; oxalic acid Traditional Name: (2,3-dimethylcyclohexyl)-[4-(2,4-dimethylphenoxy)butyl]amine; oxalic acid Formula: C22H35NO5 MolecularWeight: 393.517

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NCCCCOC2=C(C=C(C=C2)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1C)NCCCCOC2=C(C=C(C=C2)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H33NO.C2H2O4/c1-15-10-11-20(17(3)14-15)22-13-6-5-12-21-19-9-7-8-16(2)18(19)4;3-1(4)2(5)6/h10-11,14,16,18-19,21H,5-9,12-13H2,1-4H3;(H,3,4)(H,5,6)