2-methylbutyl (Z)-2-cyano-3-[4-[dioxidanyl-(4-methylphenyl)methyl]phenyl]prop-2-enoate

Systemtic Name: 2-methylbutyl (Z)-2-cyano-3-[4-[dioxidanyl-(4-methylphenyl)methyl]phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (Z)-2-cyano-3-[4-[hydroperoxy(p-tolyl)methyl]phenyl]prop-2-enoate CAS Name: (Z)-2-cyano-3-[4-[hydroperoxy-(4-methylphenyl)methyl]phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (Z)-2-cyano-3-[4-[hydroperoxy-(4-methylphenyl)methyl]phenyl]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[4-[hydroperoxy(p-tolyl)methyl]phenyl]acrylic acid 2-methylbutyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C(=CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)OO)C#N

Isomeric SMILES

CCC(C)COC(=O)/C(=C\C1=CC=C(C=C1)C(C2=CC=C(C=C2)C)OO)/C#N

InChI

InChI=1S/C23H25NO4/c1-4-16(2)15-27-23(25)21(14-24)13-18-7-11-20(12-8-18)22(28-26)19-9-5-17(3)6-10-19/h5-13,16,22,26H,4,15H2,1-3H3/b21-13-