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

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-3,3-dimethyl-valeric acid Formula: C16H21NO3 MolecularWeight: 275.34284

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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)