2-(3-methoxy-4-phenylmethoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-methoxy-4-phenylmethoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-8-methyl-cinchoninic acid Formula: C25H21NO4 MolecularWeight: 399.43854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H21NO4/c1-16-7-6-10-19-20(25(27)28)14-21(26-24(16)19)18-11-12-22(23(13-18)29-2)30-15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,27,28)