methyl 2,2-dimethyl-5-oxidanylidene-5-phenyl-3-pyridin-3-yl-pentanoate

Systemtic Name: methyl 2,2-dimethyl-5-oxidanylidene-5-phenyl-3-pyridin-3-yl-pentanoate Openeye Name: methyl 2,2-dimethyl-5-oxo-5-phenyl-3-(3-pyridyl)pentanoate CAS Name: 2,2-dimethyl-5-oxo-5-phenyl-3-(3-pyridinyl)pentanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-5-oxo-5-phenyl-3-pyridin-3-ylpentanoate Traditional Name: 5-keto-2,2-dimethyl-5-phenyl-3-(3-pyridyl)valeric acid methyl ester Formula: C19H21NO3 MolecularWeight: 311.37494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC(=O)C1=CC=CC=C1)C2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C(CC(=O)C1=CC=CC=C1)C2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C19H21NO3/c1-19(2,18(22)23-3)16(15-10-7-11-20-13-15)12-17(21)14-8-5-4-6-9-14/h4-11,13,16H,12H2,1-3H3