2-(3-methoxy-4-phenethyloxy-phenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-methoxy-4-phenethyloxy-phenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-methoxy-4-phenethyloxy-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-methoxy-4-phenethyloxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-methoxy-4-phenethyloxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(3-methoxy-4-phenethyloxy-phenyl)-6-methyl-cinchoninic acid Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)OC

InChI

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