2-methyl-6-[[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]benzoic acid

Systemtic Name: 2-methyl-6-[[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]benzoic acid Openeye Name: 2-methyl-6-[[3-[(E)-2-(2-quinolyl)vinyl]phenoxy]methyl]benzoic acid CAS Name: 2-methyl-6-[[3-[(E)-2-(2-quinolinyl)ethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 2-methyl-6-[[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]methyl]benzoic acid Traditional Name: 2-methyl-6-[[3-[(E)-2-(2-quinolyl)vinyl]phenoxy]methyl]benzoic acid Formula: C26H21NO3 MolecularWeight: 395.44984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)C=CC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)/C=C/C3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C26H21NO3/c1-18-6-4-9-21(25(18)26(28)29)17-30-23-10-5-7-19(16-23)12-14-22-15-13-20-8-2-3-11-24(20)27-22/h2-16H,17H2,1H3,(H,28,29)/b14-12+