methyl 4-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methyl-carbamoyl]benzoate

Systemtic Name: methyl 4-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methyl-carbamoyl]benzoate Openeye Name: methyl 4-[[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidyl]-methyl-carbamoyl]benzoate CAS Name: 4-[[[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidinyl]-methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]benzoate Traditional Name: 4-[[(3S)-1-(2-fluorobenzyl)-3-piperidyl]-methyl-carbamoyl]benzoic acid methyl ester Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN([C@H]1CCCN(C1)CC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25FN2O3/c1-24(21(26)16-9-11-17(12-10-16)22(27)28-2)19-7-5-13-25(15-19)14-18-6-3-4-8-20(18)23/h3-4,6,8-12,19H,5,7,13-15H2,1-2H3/t19-/m0/s1