[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [(1S)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [(1S)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)OC(=O)C1=CC(=CC=C1)N2CCCC2=O

Isomeric SMILES

C[C@@H](C(=O)N(C)CCC#N)OC(=O)C1=CC(=CC=C1)N2CCCC2=O

InChI

InChI=1S/C18H21N3O4/c1-13(17(23)20(2)10-5-9-19)25-18(24)14-6-3-7-15(12-14)21-11-4-8-16(21)22/h3,6-7,12-13H,4-5,8,10-11H2,1-2H3/t13-/m0/s1