[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O

InChI

InChI=1S/C22H21N3O4/c1-15(21(27)24-19-6-3-2-5-18(19)13-23)29-22(28)17-10-8-16(9-11-17)14-25-12-4-7-20(25)26/h2-3,5-6,8-11,15H,4,7,12,14H2,1H3,(H,24,27)