8-imidazol-1-yloctyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: 8-imidazol-1-yloctyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: 8-imidazol-1-yloctyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-hydroxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-hydroxyphenyl)-2-propenoic acid 8-(1-imidazolyl)octyl ester IUPAC Name: 8-imidazol-1-yloctyl (E)-2-cyano-3-(3-ethoxycarbonyloxy-4-hydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-carbethoxyoxy-4-hydroxy-phenyl)-2-cyano-acrylic acid 8-imidazol-1-yloctyl ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C=CC(=C1)C=C(C#N)C(=O)OCCCCCCCCN2C=CN=C2)O

Isomeric SMILES

CCOC(=O)OC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCCCCCCCCN2C=CN=C2)O

InChI

InChI=1S/C24H29N3O6/c1-2-31-24(30)33-22-16-19(9-10-21(22)28)15-20(17-25)23(29)32-14-8-6-4-3-5-7-12-27-13-11-26-18-27/h9-11,13,15-16,18,28H,2-8,12,14H2,1H3/b20-15+