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

Systemtic Name: ethanedioic acid; 2-[4-[1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol; oxalic acid CAS Name: 2-[4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-piperidinyl]-1-piperazinyl]ethanol; oxalic acid IUPAC Name: 2-[4-[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; oxalic acid Traditional Name: 2-[4-[1-(3-benzoxy-4-methoxy-benzyl)-4-piperidyl]piperazino]ethanol; oxalic acid Formula: C28H39N3O7 MolecularWeight: 529.62516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CCO)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CCO)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H37N3O3.C2H2O4/c1-31-25-8-7-23(19-26(25)32-21-22-5-3-2-4-6-22)20-28-11-9-24(10-12-28)29-15-13-27(14-16-29)17-18-30;3-1(4)2(5)6/h2-8,19,24,30H,9-18,20-21H2,1H3;(H,3,4)(H,5,6)