2-(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,3-dihydro-p-dioxin-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

C1COC(=CO1)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C15H15NO5/c17-14(13-9-20-5-6-21-13)16-8-11-4-2-1-3-10(11)7-12(16)15(18)19/h1-4,9,12H,5-8H2,(H,18,19)