ethanedioic acid; 1-[3-(3-methyl-5-propan-2-yl-phenoxy)propyl]piperazine

Systemtic Name: ethanedioic acid; 1-[3-(3-methyl-5-propan-2-yl-phenoxy)propyl]piperazine Openeye Name: 1-[3-(3-isopropyl-5-methyl-phenoxy)propyl]piperazine; oxalic acid CAS Name: 1-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]piperazine; oxalic acid IUPAC Name: 1-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]piperazine; oxalic acid Traditional Name: 1-[3-(3-isopropyl-5-methyl-phenoxy)propyl]piperazine; oxalic acid Formula: C19H30N2O5 MolecularWeight: 366.4519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCN2CCNCC2)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCN2CCNCC2)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O.C2H2O4/c1-14(2)16-11-15(3)12-17(13-16)20-10-4-7-19-8-5-18-6-9-19;3-1(4)2(5)6/h11-14,18H,4-10H2,1-3H3;(H,3,4)(H,5,6)