ethanedioic acid; 2-naphthalen-2-yloxy-1-(4-pentan-3-ylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 2-naphthalen-2-yloxy-1-(4-pentan-3-ylpiperazin-1-yl)ethanone Openeye Name: 1-[4-(1-ethylpropyl)piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 2-(2-naphthalenyloxy)-1-(4-pentan-3-yl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 2-naphthalen-2-yloxy-1-(4-pentan-3-ylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-[4-(1-ethylpropyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C23H30N2O6 MolecularWeight: 430.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O2.C2H2O4/c1-3-19(4-2)22-11-13-23(14-12-22)21(24)16-25-20-10-9-17-7-5-6-8-18(17)15-20;3-1(4)2(5)6/h5-10,15,19H,3-4,11-14,16H2,1-2H3;(H,3,4)(H,5,6)