3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3,6,8-trimethyl-quinoline-4-carboxylic acid CAS Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3,6,8-trimethyl-cinchoninic acid Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C)C(=O)O)C

InChI

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