methyl 1-[[1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[1-(3-fluorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[[1-(3-fluorophenyl)-5-oxo-pyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate CAS Name: 1-[[[1-(3-fluorophenyl)-5-oxo-3-pyrrolidinyl]amino]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate Traditional Name: 1-[[1-(3-fluorophenyl)-5-keto-pyrrolidin-3-yl]carbamoyl]isonipecotic acid methyl ester Formula: C18H22FN3O4 MolecularWeight: 363.383383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)NC2CC(=O)N(C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H22FN3O4/c1-26-17(24)12-5-7-21(8-6-12)18(25)20-14-10-16(23)22(11-14)15-4-2-3-13(19)9-15/h2-4,9,12,14H,5-8,10-11H2,1H3,(H,20,25)