3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3,7,8-trimethyl-quinoline-4-carboxylic acid CAS Name: 3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3,7,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3,7,8-trimethyl-cinchoninic acid Formula: C26H23NO3 MolecularWeight: 397.46572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C26H23NO3/c1-16-9-14-22-23(26(28)29)18(3)24(27-25(22)17(16)2)20-10-12-21(13-11-20)30-15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,28,29)