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

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C19H20ClN3O4/c1-19(11-21,13-5-6-13)22-16(24)10-27-18(26)12-4-7-14(20)15(9-12)23-8-2-3-17(23)25/h4,7,9,13H,2-3,5-6,8,10H2,1H3,(H,22,24)/t19-/m0/s1