(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C25H24FNO5 MolecularWeight: 437.460163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H24FNO5/c1-15-3-8-21-19(13-22(28)32-23(21)16(15)2)14-31-25(30)18-9-11-27(12-10-18)24(29)17-4-6-20(26)7-5-17/h3-8,13,18H,9-12,14H2,1-2H3