[4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3CCCCC3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3CCCCC3)OC)OC

InChI

InChI=1S/C26H28N2O6/c1-31-21-12-10-18(15-24(21)33-3)26(30)34-22-11-9-17(14-23(22)32-2)13-19(16-27)25(29)28-20-7-5-4-6-8-20/h9-15,20H,4-8H2,1-3H3,(H,28,29)/b19-13+