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

Systemtic Name: 4-methyl-2-(3-quinolin-3-ylphenyl)pentanoic acid Openeye Name: 4-methyl-2-[3-(3-quinolyl)phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-(3-quinolinyl)phenyl]pentanoic acid IUPAC Name: 4-methyl-2-(3-quinolin-3-ylphenyl)pentanoic acid Traditional Name: 4-methyl-2-[3-(3-quinolyl)phenyl]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=CC3=CC=CC=C3N=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC3=CC=CC=C3N=C2)C(=O)O

InChI

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