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

Systemtic Name: ethanedioic acid; 1-[2-(3-methyl-4-nitro-phenoxy)ethyl]-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidine; oxalic acid CAS Name: 1-[2-(3-methyl-4-nitrophenoxy)ethyl]-4-(phenylmethyl)piperidine; oxalic acid IUPAC Name: 4-benzyl-1-[2-(3-methyl-4-nitrophenoxy)ethyl]piperidine; oxalic acid Traditional Name: 4-benzyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidine; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-17-15-20(7-8-21(17)23(24)25)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)