ethanedioic acid; 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-[(4-ethylphenyl)methyl]-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-(4-ethylbenzyl)piperazino]-2-phenoxy-ethanone; oxalic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O2.C2H2O4/c1-2-18-8-10-19(11-9-18)16-22-12-14-23(15-13-22)21(24)17-25-20-6-4-3-5-7-20;3-1(4)2(5)6/h3-11H,2,12-17H2,1H3;(H,3,4)(H,5,6)