[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C20H22ClN3O4/c21-15-7-6-14(11-16(15)24-10-4-5-18(24)26)19(27)28-12-17(25)23-20(13-22)8-2-1-3-9-20/h6-7,11H,1-5,8-10,12H2,(H,23,25)