ethanedioic acid; 1-[3-(5-methyl-2-nitro-phenoxy)propyl]-4-(phenylmethyl)piperidine

Systemtic Name: ethanedioic acid; 1-[3-(5-methyl-2-nitro-phenoxy)propyl]-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-[3-(5-methyl-2-nitro-phenoxy)propyl]piperidine; oxalic acid CAS Name: 1-[3-(5-methyl-2-nitrophenoxy)propyl]-4-(phenylmethyl)piperidine; oxalic acid IUPAC Name: 4-benzyl-1-[3-(5-methyl-2-nitrophenoxy)propyl]piperidine; oxalic acid Traditional Name: 4-benzyl-1-[3-(5-methyl-2-nitro-phenoxy)propyl]piperidine; oxalic acid Formula: C24H30N2O7 MolecularWeight: 458.5042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCN2CCC(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCN2CCC(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O3.C2H2O4/c1-18-8-9-21(24(25)26)22(16-18)27-15-5-12-23-13-10-20(11-14-23)17-19-6-3-2-4-7-19;3-1(4)2(5)6/h2-4,6-9,16,20H,5,10-15,17H2,1H3;(H,3,4)(H,5,6)