methyl 2-fluoranyl-6-[3-[2-(phenylmethoxycarbonylamino)ethyl]pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 2-fluoranyl-6-[3-[2-(phenylmethoxycarbonylamino)ethyl]pyrrolidin-1-yl]benzoate Openeye Name: methyl 2-[3-[2-(benzyloxycarbonylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-benzoate CAS Name: 2-fluoro-6-[3-[2-(phenylmethoxycarbonylamino)ethyl]-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-6-[3-[2-(phenylmethoxycarbonylamino)ethyl]pyrrolidin-1-yl]benzoate Traditional Name: 2-[3-[2-(benzyloxycarbonylamino)ethyl]pyrrolidino]-6-fluoro-benzoic acid methyl ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1F)N2CCC(C2)CCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC=C1F)N2CCC(C2)CCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25FN2O4/c1-28-21(26)20-18(23)8-5-9-19(20)25-13-11-16(14-25)10-12-24-22(27)29-15-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3,(H,24,27)