[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-4-yl]amino]ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [2-[(1-benzyl-4-piperidyl)amino]-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-[(1-benzyl-4-piperidyl)amino]-2-keto-ethyl] ester Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)COC(=O)C2=C(C=C(C=C2)F)N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)COC(=O)C2=C(C=C(C=C2)F)N)CC3=CC=CC=C3

InChI

InChI=1S/C21H24FN3O3/c22-16-6-7-18(19(23)12-16)21(27)28-14-20(26)24-17-8-10-25(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17H,8-11,13-14,23H2,(H,24,26)