ethanedioic acid; 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperidine

Systemtic Name: ethanedioic acid; 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-[3-(3-nitrophenoxy)propyl]piperidine; oxalic acid CAS Name: 1-[3-(3-nitrophenoxy)propyl]-4-(phenylmethyl)piperidine; oxalic acid IUPAC Name: 4-benzyl-1-[3-(3-nitrophenoxy)propyl]piperidine; oxalic acid Traditional Name: 4-benzyl-1-[3-(3-nitrophenoxy)propyl]piperidine; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC(=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC(=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c24-23(25)20-8-4-9-21(17-20)26-15-5-12-22-13-10-19(11-14-22)16-18-6-2-1-3-7-18;3-1(4)2(5)6/h1-4,6-9,17,19H,5,10-16H2;(H,3,4)(H,5,6)