[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-4-ylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] cyclohexanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-4-ylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] cyclohexanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(4-pyridylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(pyridin-4-ylmethylamino)prop-1-enyl]-2-ethoxyphenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-keto-3-(4-pyridylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=NC=C2)OC(=O)C3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=NC=C2)OC(=O)C3CCCCC3

InChI

InChI=1S/C25H27N3O4/c1-2-31-23-15-19(8-9-22(23)32-25(30)20-6-4-3-5-7-20)14-21(16-26)24(29)28-17-18-10-12-27-13-11-18/h8-15,20H,2-7,17H2,1H3,(H,28,29)/b21-14+