[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (3S)-1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

COC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H19N3O5/c1-24-14-6-3-2-5-13(14)20-10-12(9-16(20)22)17(23)25-11-15(21)19-8-4-7-18/h2-3,5-6,12H,4,8-11H2,1H3,(H,19,21)/t12-/m0/s1