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

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(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=C(C=C2)C=C(C#N)C(=O)NC3CC3

Isomeric SMILES

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

InChI

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