methyl 4-fluoranyl-3-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-fluoro-3-[[[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-fluoro-3-[(1-o-toluoylisonipecotoyl)amino]benzoic acid methyl ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C22H23FN2O4/c1-14-5-3-4-6-17(14)21(27)25-11-9-15(10-12-25)20(26)24-19-13-16(22(28)29-2)7-8-18(19)23/h3-8,13,15H,9-12H2,1-2H3,(H,24,26)