ethanedioic acid; [1-[(3-fluorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

Systemtic Name: ethanedioic acid; [1-[(3-fluorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate Openeye Name: [1-[(3-fluorophenyl)methyl]-4-piperidyl] N-(2-phenylphenyl)carbamate; oxalic acid CAS Name: oxalic acid; N-(2-phenylphenyl)carbamic acid [1-[(3-fluorophenyl)methyl]-4-piperidinyl] ester IUPAC Name: [1-[(3-fluorophenyl)methyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate; oxalic acid Traditional Name: oxalic acid; N-(2-phenylphenyl)carbamic acid [1-(3-fluorobenzyl)-4-piperidyl] ester Formula: C27H27FN2O6 MolecularWeight: 494.511483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CC4=CC(=CC=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CC4=CC(=CC=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25FN2O2.C2H2O4/c26-21-10-6-7-19(17-21)18-28-15-13-22(14-16-28)30-25(29)27-24-12-5-4-11-23(24)20-8-2-1-3-9-20;3-1(4)2(5)6/h1-12,17,22H,13-16,18H2,(H,27,29);(H,3,4)(H,5,6)