methyl 2-[4-[6,7-dicyano-4-(4-hydroxyphenyl)octan-2-yl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[6,7-dicyano-4-(4-hydroxyphenyl)octan-2-yl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[5,6-dicyano-3-(4-hydroxyphenyl)-1-methyl-heptyl]phenoxy]acetate CAS Name: 2-[4-[6,7-dicyano-4-(4-hydroxyphenyl)octan-2-yl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[6,7-dicyano-4-(4-hydroxyphenyl)octan-2-yl]phenoxy]acetate Traditional Name: 2-[4-[5,6-dicyano-3-(4-hydroxyphenyl)-1-methyl-heptyl]phenoxy]acetic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C#N)C(C)C#N)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC(=O)OC

Isomeric SMILES

CC(CC(CC(C#N)C(C)C#N)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC(=O)OC

InChI

InChI=1S/C25H28N2O4/c1-17(19-6-10-24(11-7-19)31-16-25(29)30-3)12-21(13-22(15-27)18(2)14-26)20-4-8-23(28)9-5-20/h4-11,17-18,21-22,28H,12-13,16H2,1-3H3