[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1-(3-fluorophenyl)cyclopentanecarboxylate CAS Name: 1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate Traditional Name: 1-(3-fluorophenyl)cyclopentanecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H23FN2O3 MolecularWeight: 394.438723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H23FN2O3/c24-19-9-6-8-18(16-19)23(12-4-5-13-23)22(28)29-17-21(27)26(15-7-14-25)20-10-2-1-3-11-20/h1-3,6,8-11,16H,4-5,7,12-13,15,17H2