[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (3S)-1-(2-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H22FN3O4 MolecularWeight: 387.404783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3F

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN3O4/c21-15-6-2-3-7-16(15)24-11-14(10-18(24)26)19(27)28-12-17(25)23-20(13-22)8-4-1-5-9-20/h2-3,6-7,14H,1,4-5,8-12H2,(H,23,25)/t14-/m0/s1