(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C25H23ClFNO5 MolecularWeight: 471.905223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C25H23ClFNO5/c1-2-15-11-22-20(13-21(15)26)18(12-23(29)33-22)14-32-25(31)17-7-9-28(10-8-17)24(30)16-3-5-19(27)6-4-16/h3-6,11-13,17H,2,7-10,14H2,1H3