2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl 3-oxidanylidenebutanoate Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl ester IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCN1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(=O)CC(=O)OCCN1CCC2=CC=CC=C2C1

InChI

InChI=1S/C15H19NO3/c1-12(17)10-15(18)19-9-8-16-7-6-13-4-2-3-5-14(13)11-16/h2-5H,6-11H2,1H3