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

Systemtic Name: methyl 4-[[2-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-(cyclopropylamino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C#N)C(=O)NC3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C(=O)NC3CC3

InChI

InChI=1S/C22H20N2O4/c1-27-22(26)16-8-6-15(7-9-16)14-28-20-5-3-2-4-17(20)12-18(13-23)21(25)24-19-10-11-19/h2-9,12,19H,10-11,14H2,1H3,(H,24,25)/b18-12+