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

Systemtic Name: 2-(3-methoxy-4-phenethyloxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-methoxy-4-phenethyloxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-methoxy-4-phenethyloxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-4-phenethyloxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(3-methoxy-4-phenethyloxy-phenyl)-8-methyl-cinchoninic acid Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H23NO4/c1-17-7-6-10-20-21(26(28)29)16-22(27-25(17)20)19-11-12-23(24(15-19)30-2)31-14-13-18-8-4-3-5-9-18/h3-12,15-16H,13-14H2,1-2H3,(H,28,29)