(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 1-(4-fluorophenyl)carbonylpiperidine-3-carboxylate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 1-(4-fluorobenzoyl)piperidine-3-carboxylate CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-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-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)nipecotic 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)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O6/c1-15(29)27-20-8-9-21-18(11-23(30)34-22(21)12-20)14-33-25(32)17-3-2-10-28(13-17)24(31)16-4-6-19(26)7-5-16/h4-9,11-12,17H,2-3,10,13-14H2,1H3,(H,27,29)