ethanedioic acid; 2-[4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 2-[4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol Openeye Name: oxalic acid; 2-[4-[1-[(3-phenoxyphenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol CAS Name: oxalic acid; 2-[4-[1-[(3-phenoxyphenyl)methyl]-4-piperidinyl]-1-piperazinyl]ethanol IUPAC Name: oxalic acid; 2-[4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol Traditional Name: oxalic acid; 2-[4-[1-(3-phenoxybenzyl)-4-piperidyl]piperazino]ethanol Formula: C26H35N3O6 MolecularWeight: 485.5726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CCO)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CCO)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33N3O2.C2H2O4/c28-18-17-25-13-15-27(16-14-25)22-9-11-26(12-10-22)20-21-5-4-8-24(19-21)29-23-6-2-1-3-7-23;3-1(4)2(5)6/h1-8,19,22,28H,9-18,20H2;(H,3,4)(H,5,6)