[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid (2-keto-2-mesidino-ethyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(N=CC=C2)N3CCCC3)C

InChI

InChI=1S/C21H25N3O3/c1-14-11-15(2)19(16(3)12-14)23-18(25)13-27-21(26)17-7-6-8-22-20(17)24-9-4-5-10-24/h6-8,11-12H,4-5,9-10,13H2,1-3H3,(H,23,25)