ethanedioic acid; [4-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[3-(4-benzylpiperazino)-2-hydroxy-propoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H30N2O3.C2H2O4/c30-25(20-29-17-15-28(16-18-29)19-22-7-3-1-4-8-22)21-32-26-13-11-24(12-14-26)27(31)23-9-5-2-6-10-23;3-1(4)2(5)6/h1-14,25,30H,15-21H2;(H,3,4)(H,5,6)