[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: 3-(3-ethoxy-4-propoxyphenyl)-2-propenoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 3-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: 3-(3-ethoxy-4-propoxy-phenyl)acrylic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)OCC

InChI

InChI=1S/C25H25N3O5/c1-3-13-32-22-11-9-17(14-23(22)31-4-2)10-12-24(30)33-16-21(29)18(15-26)25-27-19-7-5-6-8-20(19)28-25/h5-12,14,27-28H,3-4,13,16H2,1-2H3