oxolan-2-ylmethyl 4-[[2-(2-chloranyl-2-cyano-ethyl)phenyl]carbonylamino]benzoate

Systemtic Name: oxolan-2-ylmethyl 4-[[2-(2-chloranyl-2-cyano-ethyl)phenyl]carbonylamino]benzoate Openeye Name: tetrahydrofuran-2-ylmethyl 4-[[2-(2-chloro-2-cyano-ethyl)benzoyl]amino]benzoate CAS Name: 4-[[[2-(2-chloro-2-cyanoethyl)phenyl]-oxomethyl]amino]benzoic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 4-[[2-(2-chloro-2-cyanoethyl)benzoyl]amino]benzoate Traditional Name: 4-[[2-(2-chloro-2-cyano-ethyl)benzoyl]amino]benzoic acid tetrahydrofurfuryl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3CC(C#N)Cl

Isomeric SMILES

C1CC(OC1)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3CC(C#N)Cl

InChI

InChI=1S/C22H21ClN2O4/c23-17(13-24)12-16-4-1-2-6-20(16)21(26)25-18-9-7-15(8-10-18)22(27)29-14-19-5-3-11-28-19/h1-2,4,6-10,17,19H,3,5,11-12,14H2,(H,25,26)