pentyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: pentyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: pentyl 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-cinchoninic acid amyl ester Formula: C31H33NO3 MolecularWeight: 467.59862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C31H33NO3/c1-5-6-10-17-34-31(33)28-23(4)30(32-29-22(3)18-21(2)19-27(28)29)25-13-15-26(16-14-25)35-20-24-11-8-7-9-12-24/h7-9,11-16,18-19H,5-6,10,17,20H2,1-4H3