methyl 4-[(3S)-3-[[(4-fluorophenyl)carbonylamino]methyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[(3S)-3-[[(4-fluorophenyl)carbonylamino]methyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[(3S)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate CAS Name: 4-[[(3S)-3-[[[(4-fluorophenyl)-oxomethyl]amino]methyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate Traditional Name: 4-[(3S)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCC(C2)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O4/c1-29-22(28)18-6-4-17(5-7-18)21(27)25-12-2-3-15(14-25)13-24-20(26)16-8-10-19(23)11-9-16/h4-11,15H,2-3,12-14H2,1H3,(H,24,26)/t15-/m0/s1