4-(4-chloranylphenoxy)-N-propan-2-yl-but-2-yn-1-amine; ethanedioic acid

Systemtic Name: 4-(4-chloranylphenoxy)-N-propan-2-yl-but-2-yn-1-amine; ethanedioic acid Openeye Name: 4-(4-chlorophenoxy)-N-isopropyl-but-2-yn-1-amine; oxalic acid CAS Name: 4-(4-chlorophenoxy)-N-propan-2-yl-2-butyn-1-amine; oxalic acid IUPAC Name: 4-(4-chlorophenoxy)-N-propan-2-ylbut-2-yn-1-amine; oxalic acid Traditional Name: 4-(4-chlorophenoxy)but-2-ynyl-isopropyl-amine; oxalic acid Formula: C15H18ClNO5 MolecularWeight: 327.76012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC#CCOC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC#CCOC1=CC=C(C=C1)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16ClNO.C2H2O4/c1-11(2)15-9-3-4-10-16-13-7-5-12(14)6-8-13;3-1(4)2(5)6/h5-8,11,15H,9-10H2,1-2H3;(H,3,4)(H,5,6)