(2E,4E,6E)-2-cyano-7-(4-propoxycarbonylphenyl)hepta-2,4,6-trienoic acid

Systemtic Name: (2E,4E,6E)-2-cyano-7-(4-propoxycarbonylphenyl)hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-2-cyano-7-(4-propoxycarbonylphenyl)hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-2-cyano-7-[4-[oxo(propoxy)methyl]phenyl]hepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-2-cyano-7-(4-propoxycarbonylphenyl)hepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-2-cyano-7-(4-propoxycarbonylphenyl)hepta-2,4,6-trienoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)C=CC=CC=C(C#N)C(=O)O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)/C=C/C=C/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C18H17NO4/c1-2-12-23-18(22)15-10-8-14(9-11-15)6-4-3-5-7-16(13-19)17(20)21/h3-11H,2,12H2,1H3,(H,20,21)/b5-3+,6-4+,16-7+