ethanedioic acid; 1-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenyl-piperazine

Systemtic Name: ethanedioic acid; 1-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenyl-piperazine Openeye Name: oxalic acid; 1-[1-[(3-phenoxyphenyl)methyl]-4-piperidyl]-4-phenyl-piperazine CAS Name: oxalic acid; 1-[1-[(3-phenoxyphenyl)methyl]-4-piperidinyl]-4-phenylpiperazine IUPAC Name: oxalic acid; 1-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]-4-phenylpiperazine Traditional Name: oxalic acid; 1-[1-(3-phenoxybenzyl)-4-piperidyl]-4-phenyl-piperazine Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H33N3O.C2H2O4/c1-3-9-25(10-4-1)30-18-20-31(21-19-30)26-14-16-29(17-15-26)23-24-8-7-13-28(22-24)32-27-11-5-2-6-12-27;3-1(4)2(5)6/h1-13,22,26H,14-21,23H2;(H,3,4)(H,5,6)