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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-fluorobenzoyl)isonipecotic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C25H23FN2O6 MolecularWeight: 466.458323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O6/c1-15(29)27-20-6-7-21-18(12-23(30)34-22(21)13-20)14-33-25(32)17-8-10-28(11-9-17)24(31)16-2-4-19(26)5-3-16/h2-7,12-13,17H,8-11,14H2,1H3,(H,27,29)