ethanedioic acid; 1-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide

Systemtic Name: ethanedioic acid; 1-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide Openeye Name: 1-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperidine-3-carboxamide; oxalic acid CAS Name: 1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-3-piperidinecarboxamide; oxalic acid IUPAC Name: 1-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidine-3-carboxamide; oxalic acid Traditional Name: 1-[2-hydroxy-3-(2-isopropylphenoxy)propyl]nipecotamide; oxalic acid Formula: C20H30N2O7 MolecularWeight: 410.4614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CN2CCCC(C2)C(=O)N)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(CN2CCCC(C2)C(=O)N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3.C2H2O4/c1-13(2)16-7-3-4-8-17(16)23-12-15(21)11-20-9-5-6-14(10-20)18(19)22;3-1(4)2(5)6/h3-4,7-8,13-15,21H,5-6,9-12H2,1-2H3,(H2,19,22);(H,3,4)(H,5,6)