N-[4-(4-chloranylphenoxy)but-2-ynyl]-2-methyl-cyclohexan-1-amine; ethanedioic acid

Systemtic Name: N-[4-(4-chloranylphenoxy)but-2-ynyl]-2-methyl-cyclohexan-1-amine; ethanedioic acid Openeye Name: N-[4-(4-chlorophenoxy)but-2-ynyl]-2-methyl-cyclohexanamine; oxalic acid CAS Name: N-[4-(4-chlorophenoxy)but-2-ynyl]-2-methyl-1-cyclohexanamine; oxalic acid IUPAC Name: N-[4-(4-chlorophenoxy)but-2-ynyl]-2-methylcyclohexan-1-amine; oxalic acid Traditional Name: 4-(4-chlorophenoxy)but-2-ynyl-(2-methylcyclohexyl)amine; oxalic acid Formula: C19H24ClNO5 MolecularWeight: 381.85056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC#CCOC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1NCC#CCOC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H22ClNO.C2H2O4/c1-14-6-2-3-7-17(14)19-12-4-5-13-20-16-10-8-15(18)9-11-16;3-1(4)2(5)6/h8-11,14,17,19H,2-3,6-7,12-13H2,1H3;(H,3,4)(H,5,6)