(3-ethoxycarbonylfuran-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid (3-ethoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic acid (3-carbethoxy-2-furyl)methyl ester Formula: C21H22FNO6 MolecularWeight: 403.400883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO6/c1-2-27-21(26)17-9-11-28-18(17)13-29-20(25)15-4-3-10-23(12-15)19(24)14-5-7-16(22)8-6-14/h5-9,11,15H,2-4,10,12-13H2,1H3