methyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[3-(4-tert-butylphenyl)-1-oxopropoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-acrylic acid methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OC)OC

InChI

InChI=1S/C25H27NO5/c1-25(2,3)20-10-6-17(7-11-20)9-13-23(27)31-21-12-8-18(15-22(21)29-4)14-19(16-26)24(28)30-5/h6-8,10-12,14-15H,9,13H2,1-5H3/b19-14+