tert-butyl 2-[3-methyl-2-oxidanylidene-4-(3-phenylpropyl)pyridin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-methyl-2-oxidanylidene-4-(3-phenylpropyl)pyridin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-methyl-2-oxo-4-(3-phenylpropyl)-1-pyridyl]acetate CAS Name: 2-[3-methyl-2-oxo-4-(3-phenylpropyl)-1-pyridinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-methyl-2-oxo-4-(3-phenylpropyl)pyridin-1-yl]acetate Traditional Name: 2-[2-keto-3-methyl-4-(3-phenylpropyl)-1-pyridyl]acetic acid tert-butyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN(C1=O)CC(=O)OC(C)(C)C)CCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CN(C1=O)CC(=O)OC(C)(C)C)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO3/c1-16-18(12-8-11-17-9-6-5-7-10-17)13-14-22(20(16)24)15-19(23)25-21(2,3)4/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3