2-(3-isoquinolin-4-ylphenyl)-4-methyl-pentanoic acid

Systemtic Name: 2-(3-isoquinolin-4-ylphenyl)-4-methyl-pentanoic acid Openeye Name: 2-[3-(4-isoquinolyl)phenyl]-4-methyl-pentanoic acid CAS Name: 2-[3-(4-isoquinolinyl)phenyl]-4-methylpentanoic acid IUPAC Name: 2-(3-isoquinolin-4-ylphenyl)-4-methylpentanoic acid Traditional Name: 2-[3-(4-isoquinolyl)phenyl]-4-methyl-valeric acid Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CN=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CN=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H21NO2/c1-14(2)10-19(21(23)24)15-7-5-8-16(11-15)20-13-22-12-17-6-3-4-9-18(17)20/h3-9,11-14,19H,10H2,1-2H3,(H,23,24)