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

Systemtic Name: methyl 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethylcarbamoylamino]benzoate Openeye Name: methyl 3-[2-[4-[(4-fluorophenyl)methyl]-1-piperidyl]ethylcarbamoylamino]benzoate CAS Name: 3-[[[2-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]ethylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethylcarbamoylamino]benzoate Traditional Name: 3-[2-[4-(4-fluorobenzyl)piperidino]ethylcarbamoylamino]benzoic acid methyl ester Formula: C23H28FN3O3 MolecularWeight: 413.485123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCCN2CCC(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCCN2CCC(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O3/c1-30-22(28)19-3-2-4-21(16-19)26-23(29)25-11-14-27-12-9-18(10-13-27)15-17-5-7-20(24)8-6-17/h2-8,16,18H,9-15H2,1H3,(H2,25,26,29)