N-[4-(4-chloranylphenoxy)but-2-ynyl]cyclopentanamine; ethanedioic acid

Systemtic Name: N-[4-(4-chloranylphenoxy)but-2-ynyl]cyclopentanamine; ethanedioic acid Openeye Name: N-[4-(4-chlorophenoxy)but-2-ynyl]cyclopentanamine; oxalic acid CAS Name: N-[4-(4-chlorophenoxy)but-2-ynyl]cyclopentanamine; oxalic acid IUPAC Name: N-[4-(4-chlorophenoxy)but-2-ynyl]cyclopentanamine; oxalic acid Traditional Name: 4-(4-chlorophenoxy)but-2-ynyl-cyclopentyl-amine; oxalic acid Formula: C17H20ClNO5 MolecularWeight: 353.7974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCC#CCOC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)NCC#CCOC2=CC=C(C=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18ClNO.C2H2O4/c16-13-7-9-15(10-8-13)18-12-4-3-11-17-14-5-1-2-6-14;3-1(4)2(5)6/h7-10,14,17H,1-2,5-6,11-12H2;(H,3,4)(H,5,6)