2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3C4C=CC(C3C(=O)O)O4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3C4C=CC(C3C(=O)O)O4

InChI

InChI=1S/C17H17NO4/c19-16(14-12-5-6-13(22-12)15(14)17(20)21)18-8-7-10-3-1-2-4-11(10)9-18/h1-6,12-15H,7-9H2,(H,20,21)