methyl 4-[[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-oxo-3-(3-pyridinylmethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-keto-3-(3-pyridylmethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C25H21N3O4/c1-31-25(30)21-8-4-19(5-9-21)17-32-23-10-6-18(7-11-23)13-22(14-26)24(29)28-16-20-3-2-12-27-15-20/h2-13,15H,16-17H2,1H3,(H,28,29)/b22-13+