(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=C(N=CC=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=C(N=CC=C2)N3CCCC3)C

InChI

InChI=1S/C22H26N2O3/c1-14-12-15(2)20(17(4)25)16(3)19(14)13-27-22(26)18-8-7-9-23-21(18)24-10-5-6-11-24/h7-9,12H,5-6,10-11,13H2,1-4H3