methyl 2-(4-methylpentan-2-yl)-6-[2-(oxan-4-yloxymethyl)phenyl]quinoline-8-carboxylate

Systemtic Name: methyl 2-(4-methylpentan-2-yl)-6-[2-(oxan-4-yloxymethyl)phenyl]quinoline-8-carboxylate Openeye Name: methyl 2-(1,3-dimethylbutyl)-6-[2-(tetrahydropyran-4-yloxymethyl)phenyl]quinoline-8-carboxylate CAS Name: 2-(4-methylpentan-2-yl)-6-[2-(4-oxanyloxymethyl)phenyl]-8-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylpentan-2-yl)-6-[2-(oxan-4-yloxymethyl)phenyl]quinoline-8-carboxylate Traditional Name: 2-(1,3-dimethylbutyl)-6-[2-(tetrahydropyran-4-yloxymethyl)phenyl]quinoline-8-carboxylic acid methyl ester Formula: C29H35NO4 MolecularWeight: 461.5925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO4/c1-19(2)15-20(3)27-10-9-21-16-23(17-26(28(21)30-27)29(31)32-4)25-8-6-5-7-22(25)18-34-24-11-13-33-14-12-24/h5-10,16-17,19-20,24H,11-15,18H2,1-4H3