[3-cyano-3-(4-methoxyphenyl)propyl] (E)-3-oxidanylidene-5-(2-prop-2-enylphenyl)pent-4-enoate

Systemtic Name: [3-cyano-3-(4-methoxyphenyl)propyl] (E)-3-oxidanylidene-5-(2-prop-2-enylphenyl)pent-4-enoate Openeye Name: [3-cyano-3-(4-methoxyphenyl)propyl] (E)-5-(2-allylphenyl)-3-oxo-pent-4-enoate CAS Name: (E)-3-oxo-5-(2-prop-2-enylphenyl)-4-pentenoic acid [3-cyano-3-(4-methoxyphenyl)propyl] ester IUPAC Name: [3-cyano-3-(4-methoxyphenyl)propyl] (E)-3-oxo-5-(2-prop-2-enylphenyl)pent-4-enoate Traditional Name: (E)-5-(2-allylphenyl)-3-keto-pent-4-enoic acid [3-cyano-3-(4-methoxyphenyl)propyl] ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCOC(=O)CC(=O)C=CC2=CC=CC=C2CC=C)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(CCOC(=O)CC(=O)/C=C/C2=CC=CC=C2CC=C)C#N

InChI

InChI=1S/C25H25NO4/c1-3-6-19-7-4-5-8-20(19)9-12-23(27)17-25(28)30-16-15-22(18-26)21-10-13-24(29-2)14-11-21/h3-5,7-14,22H,1,6,15-17H2,2H3/b12-9+