3-ethyl-2-isoquinolin-3-ylcarbonyl-octanoic acid

Systemtic Name: 3-ethyl-2-isoquinolin-3-ylcarbonyl-octanoic acid Openeye Name: 3-ethyl-2-(isoquinoline-3-carbonyl)octanoic acid CAS Name: 3-ethyl-2-[3-isoquinolinyl(oxo)methyl]octanoic acid IUPAC Name: 3-ethyl-2-(isoquinoline-3-carbonyl)octanoic acid Traditional Name: 3-ethyl-2-(isoquinoline-3-carbonyl)caprylic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=CC2=CC=CC=C2C=N1)C(=O)O

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=CC2=CC=CC=C2C=N1)C(=O)O

InChI

InChI=1S/C20H25NO3/c1-3-5-6-9-14(4-2)18(20(23)24)19(22)17-12-15-10-7-8-11-16(15)13-21-17/h7-8,10-14,18H,3-6,9H2,1-2H3,(H,23,24)