5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-3,3-dimethyl-valerate Formula: C16H20NO3- MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCC2=CC=CC=C2C1)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)N1CCC2=CC=CC=C2C1)CC(=O)[O-]

InChI

InChI=1S/C16H21NO3/c1-16(2,10-15(19)20)9-14(18)17-8-7-12-5-3-4-6-13(12)11-17/h3-6H,7-11H2,1-2H3,(H,19,20)/p-1