8-imidazol-1-yloctyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate

Systemtic Name: 8-imidazol-1-yloctyl (E)-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enoate Openeye Name: 8-imidazol-1-yloctyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 8-(1-imidazolyl)octyl ester IUPAC Name: 8-imidazol-1-yloctyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylic acid 8-imidazol-1-yloctyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C(C#N)C(=O)OCCCCCCCCN2C=CN=C2)O)O

Isomeric SMILES

C1=CC(=C(C=C1/C=C(\C#N)/C(=O)OCCCCCCCCN2C=CN=C2)O)O

InChI

InChI=1S/C21H25N3O4/c22-15-18(13-17-7-8-19(25)20(26)14-17)21(27)28-12-6-4-2-1-3-5-10-24-11-9-23-16-24/h7-9,11,13-14,16,25-26H,1-6,10,12H2/b18-13+