2-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-acetonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-acetonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(=O)CN1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C13H15NO3/c1-9(15)7-14-8-11-5-3-2-4-10(11)6-12(14)13(16)17/h2-5,12H,6-8H2,1H3,(H,16,17)