1-methoxycarbonylisoquinoline-4-carboxylic acid

Systemtic Name: 1-methoxycarbonylisoquinoline-4-carboxylic acid Openeye Name: 1-methoxycarbonylisoquinoline-4-carboxylic acid CAS Name: 1-methoxycarbonyl-4-isoquinolinecarboxylic acid IUPAC Name: 1-methoxycarbonylisoquinoline-4-carboxylic acid Traditional Name: 1-carbomethoxyisoquinoline-4-carboxylic acid Formula: C12H9NO4 MolecularWeight: 231.20416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C2=CC=CC=C21)C(=O)O

Isomeric SMILES

COC(=O)C1=NC=C(C2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H9NO4/c1-17-12(16)10-8-5-3-2-4-7(8)9(6-13-10)11(14)15/h2-6H,1H3,(H,14,15)