ethanedioic acid; 1-phenylmethoxy-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-phenylmethoxy-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]propan-2-ol Openeye Name: 1-benzyloxy-3-[2-(4-benzylpiperazin-1-yl)ethylamino]propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-phenylmethoxy-3-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]-2-propanol IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-phenylmethoxypropan-2-ol; oxalic acid Traditional Name: 1-benzoxy-3-[2-(4-benzylpiperazino)ethylamino]propan-2-ol; oxalic acid Formula: C25H35N3O6 MolecularWeight: 473.5619

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNCC(COCC2=CC=CC=C2)O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCNCC(COCC2=CC=CC=C2)O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H33N3O2.C2H2O4/c27-23(20-28-19-22-9-5-2-6-10-22)17-24-11-12-25-13-15-26(16-14-25)18-21-7-3-1-4-8-21;3-1(4)2(5)6/h1-10,23-24,27H,11-20H2;(H,3,4)(H,5,6)