dimethyl 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[1-(4-fluorobenzyl)isonipecotoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H25FN2O5 MolecularWeight: 428.453403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O5/c1-30-22(28)17-5-8-19(23(29)31-2)20(13-17)25-21(27)16-9-11-26(12-10-16)14-15-3-6-18(24)7-4-15/h3-8,13,16H,9-12,14H2,1-2H3,(H,25,27)