2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3,3-dimethyl-2-oxo-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3,3-dimethyl-2-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C17H21NO4/c1-4-17(2,3)14(19)15(20)18-10-12-8-6-5-7-11(12)9-13(18)16(21)22/h5-8,13H,4,9-10H2,1-3H3,(H,21,22)