methyl 2-methyl-6-[[3-(2-quinolin-2-ylethoxy)phenoxy]methyl]benzoate

Systemtic Name: methyl 2-methyl-6-[[3-(2-quinolin-2-ylethoxy)phenoxy]methyl]benzoate Openeye Name: methyl 2-methyl-6-[[3-[2-(2-quinolyl)ethoxy]phenoxy]methyl]benzoate CAS Name: 2-methyl-6-[[3-[2-(2-quinolinyl)ethoxy]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-6-[[3-(2-quinolin-2-ylethoxy)phenoxy]methyl]benzoate Traditional Name: 2-methyl-6-[[3-[2-(2-quinolyl)ethoxy]phenoxy]methyl]benzoic acid methyl ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCCC3=NC4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCCC3=NC4=CC=CC=C4C=C3)C(=O)OC

InChI

InChI=1S/C27H25NO4/c1-19-7-5-9-21(26(19)27(29)30-2)18-32-24-11-6-10-23(17-24)31-16-15-22-14-13-20-8-3-4-12-25(20)28-22/h3-14,17H,15-16,18H2,1-2H3