tert-butyl 4-(2-ethanoylphenyl)-1,2,3,6-tetrahydropyridine-6-carboxylate

Systemtic Name: tert-butyl 4-(2-ethanoylphenyl)-1,2,3,6-tetrahydropyridine-6-carboxylate Openeye Name: tert-butyl 4-(2-acetylphenyl)-1,2,3,6-tetrahydropyridine-6-carboxylate CAS Name: 4-(2-acetylphenyl)-1,2,3,6-tetrahydropyridine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-acetylphenyl)-1,2,3,6-tetrahydropyridine-6-carboxylate Traditional Name: 4-(2-acetylphenyl)-1,2,3,6-tetrahydropyridine-6-carboxylic acid tert-butyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C2=CC(NCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1C2=CC(NCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23NO3/c1-12(20)14-7-5-6-8-15(14)13-9-10-19-16(11-13)17(21)22-18(2,3)4/h5-8,11,16,19H,9-10H2,1-4H3