[4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]-2-methoxy-phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H28N2O8 MolecularWeight: 496.50912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3CCCO3)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3CCCO3)OC

InChI

InChI=1S/C26H28N2O8/c1-31-21-11-16(10-18(14-27)25(29)28-15-19-6-5-9-35-19)7-8-20(21)36-26(30)17-12-22(32-2)24(34-4)23(13-17)33-3/h7-8,10-13,19H,5-6,9,15H2,1-4H3,(H,28,29)/b18-10+