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

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C25H24FNO5 MolecularWeight: 437.460163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FNO5/c1-3-16-13-20-15(2)12-23(28)31-22(20)14-21(16)32-25(30)18-8-10-27(11-9-18)24(29)17-4-6-19(26)7-5-17/h4-7,12-14,18H,3,8-11H2,1-2H3