4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzene-1,3-dicarboxylic acid CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)isophthalic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO5/c20-16(19-8-7-11-3-1-2-4-13(11)10-19)14-6-5-12(17(21)22)9-15(14)18(23)24/h1-6,9H,7-8,10H2,(H,21,22)(H,23,24)