2-ethoxycarbonyl-3-quinolin-3-yl-pentanedioic acid

Systemtic Name: 2-ethoxycarbonyl-3-quinolin-3-yl-pentanedioic acid Openeye Name: 2-ethoxycarbonyl-3-(3-quinolyl)pentanedioic acid CAS Name: 2-ethoxycarbonyl-3-(3-quinolinyl)pentanedioic acid IUPAC Name: 2-ethoxycarbonyl-3-quinolin-3-ylpentanedioic acid Traditional Name: 2-carbethoxy-3-(3-quinolyl)glutaric acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)O)C1=CC2=CC=CC=C2N=C1)C(=O)O

Isomeric SMILES

CCOC(=O)C(C(CC(=O)O)C1=CC2=CC=CC=C2N=C1)C(=O)O

InChI

InChI=1S/C17H17NO6/c1-2-24-17(23)15(16(21)22)12(8-14(19)20)11-7-10-5-3-4-6-13(10)18-9-11/h3-7,9,12,15H,2,8H2,1H3,(H,19,20)(H,21,22)