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

Systemtic Name: ethanedioic acid; [4-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-phenyl-methanone; oxalic acid CAS Name: [4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-phenylmethanone; oxalic acid Traditional Name: [4-[2-hydroxy-3-(4-phenylpiperazino)propoxy]phenyl]-phenyl-methanone; oxalic acid Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O3.C2H2O4/c29-24(19-27-15-17-28(18-16-27)23-9-5-2-6-10-23)20-31-25-13-11-22(12-14-25)26(30)21-7-3-1-4-8-21;3-1(4)2(5)6/h1-14,24,29H,15-20H2;(H,3,4)(H,5,6)