methyl 3-methyl-1-(2-oxidanylidenepropyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 3-methyl-1-(2-oxidanylidenepropyl)-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-acetonyl-3-methyl-1H-isoquinoline-2-carboxylate CAS Name: 3-methyl-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-acetonyl-3-methyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(N1C(=O)OC)CC(=O)C

Isomeric SMILES

CC1=CC2=CC=CC=C2C(N1C(=O)OC)CC(=O)C

InChI

InChI=1S/C15H17NO3/c1-10-8-12-6-4-5-7-13(12)14(9-11(2)17)16(10)15(18)19-3/h4-8,14H,9H2,1-3H3