ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone; oxalic acid CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazinyl]-(4-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(4-ethylbenzyl)piperazino]-(4-methoxyphenyl)methanone; 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)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2.C2H2O4/c1-3-17-4-6-18(7-5-17)16-22-12-14-23(15-13-22)21(24)19-8-10-20(25-2)11-9-19;3-1(4)2(5)6/h4-11H,3,12-16H2,1-2H3;(H,3,4)(H,5,6)