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

Systemtic Name: ethyl (E)-3-[4-[3-(4-tert-butylphenyl)propanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC(=O)CCC2=CC=C(C=C2)C(C)(C)C)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)CCC2=CC=C(C=C2)C(C)(C)C)OC)/C#N

InChI

InChI=1S/C26H29NO5/c1-6-31-25(29)20(17-27)15-19-9-13-22(23(16-19)30-5)32-24(28)14-10-18-7-11-21(12-8-18)26(2,3)4/h7-9,11-13,15-16H,6,10,14H2,1-5H3/b20-15+