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

Systemtic Name: ethanedioic acid; 1-[2-(5-methyl-2-nitro-phenoxy)ethyl]-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-[2-(5-methyl-2-nitro-phenoxy)ethyl]piperidine; oxalic acid CAS Name: 1-[2-(5-methyl-2-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidine; oxalic acid IUPAC Name: 4-benzyl-1-[2-(5-methyl-2-nitrophenoxy)ethyl]piperidine; oxalic acid Traditional Name: 4-benzyl-1-[2-(5-methyl-2-nitro-phenoxy)ethyl]piperidine; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCN2CCC(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCN2CCC(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-17-7-8-20(23(24)25)21(15-17)26-14-13-22-11-9-19(10-12-22)16-18-5-3-2-4-6-18;3-1(4)2(5)6/h2-8,15,19H,9-14,16H2,1H3;(H,3,4)(H,5,6)