ethanedioic acid; 1-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperidine

Systemtic Name: ethanedioic acid; 1-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperidine Openeye Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]piperidine; oxalic acid CAS Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperidine; oxalic acid IUPAC Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperidine; oxalic acid Traditional Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]piperidine; oxalic acid Formula: C21H29NO5 MolecularWeight: 375.45866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC#CCN2CCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC#CCN2CCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27NO.C2H2O4/c1-16(2)18-10-9-17(3)15-19(18)21-14-8-7-13-20-11-5-4-6-12-20;3-1(4)2(5)6/h9-10,15-16H,4-6,11-14H2,1-3H3;(H,3,4)(H,5,6)