ethanedioic acid; 1-[4-(3-nitrophenoxy)butyl]-4-(phenylmethyl)piperazine

Systemtic Name: ethanedioic acid; 1-[4-(3-nitrophenoxy)butyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[4-(3-nitrophenoxy)butyl]piperazine; oxalic acid CAS Name: 1-[4-(3-nitrophenoxy)butyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[4-(3-nitrophenoxy)butyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[4-(3-nitrophenoxy)butyl]piperazine; oxalic acid Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCCOC2=CC=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O3.C2H2O4/c25-24(26)20-9-6-10-21(17-20)27-16-5-4-11-22-12-14-23(15-13-22)18-19-7-2-1-3-8-19;3-1(4)2(5)6/h1-3,6-10,17H,4-5,11-16,18H2;(H,3,4)(H,5,6)