[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)amino]benzoate

Systemtic Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)amino]benzoate Openeye Name: [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl] 2-(4-fluoroanilino)benzoate CAS Name: 2-(4-fluoroanilino)benzoic acid [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl] 2-(4-fluoroanilino)benzoate Traditional Name: 2-(4-fluoroanilino)benzoic acid [2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-keto-ethyl] ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3/c1-21(13-23,14-6-7-14)25-19(26)12-28-20(27)17-4-2-3-5-18(17)24-16-10-8-15(22)9-11-16/h2-5,8-11,14,24H,6-7,12H2,1H3,(H,25,26)