methyl 2-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-5-morpholino-benzoate CAS Name: 2-[[[1-[(4-fluorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[[1-(4-fluorobenzoyl)isonipecotoyl]amino]-5-morpholino-benzoic acid methyl ester Formula: C25H28FN3O5 MolecularWeight: 469.505323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN3O5/c1-33-25(32)21-16-20(28-12-14-34-15-13-28)6-7-22(21)27-23(30)17-8-10-29(11-9-17)24(31)18-2-4-19(26)5-3-18/h2-7,16-17H,8-15H2,1H3,(H,27,30)