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

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-(3-ethoxypropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC)C#N

Isomeric SMILES

CCOCCCNC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC)/C#N

InChI

InChI=1S/C25H28N2O6/c1-4-32-13-5-12-27-24(28)21(16-26)14-19-8-11-22(23(15-19)30-2)33-17-18-6-9-20(10-7-18)25(29)31-3/h6-11,14-15H,4-5,12-13,17H2,1-3H3,(H,27,28)/b21-14+