2-(4-methylpentan-2-yl)-6-[2-(oxan-4-yloxymethyl)phenyl]quinoline-8-carboxylic acid

Systemtic Name: 2-(4-methylpentan-2-yl)-6-[2-(oxan-4-yloxymethyl)phenyl]quinoline-8-carboxylic acid Openeye Name: 2-(1,3-dimethylbutyl)-6-[2-(tetrahydropyran-4-yloxymethyl)phenyl]quinoline-8-carboxylic acid CAS Name: 2-(4-methylpentan-2-yl)-6-[2-(4-oxanyloxymethyl)phenyl]-8-quinolinecarboxylic acid IUPAC Name: 2-(4-methylpentan-2-yl)-6-[2-(oxan-4-yloxymethyl)phenyl]quinoline-8-carboxylic acid Traditional Name: 2-(1,3-dimethylbutyl)-6-[2-(tetrahydropyran-4-yloxymethyl)phenyl]quinoline-8-carboxylic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)C1=NC2=C(C=C(C=C2C=C1)C3=CC=CC=C3COC4CCOCC4)C(=O)O

Isomeric SMILES

CC(C)CC(C)C1=NC2=C(C=C(C=C2C=C1)C3=CC=CC=C3COC4CCOCC4)C(=O)O

InChI

InChI=1S/C28H33NO4/c1-18(2)14-19(3)26-9-8-20-15-22(16-25(28(30)31)27(20)29-26)24-7-5-4-6-21(24)17-33-23-10-12-32-13-11-23/h4-9,15-16,18-19,23H,10-14,17H2,1-3H3,(H,30,31)