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

Systemtic Name: methyl 4-[[2-[(E)-2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(E)-2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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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)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C(=O)NC3CCCCC3

InChI

InChI=1S/C25H26N2O4/c1-30-25(29)19-13-11-18(12-14-19)17-31-23-10-6-5-7-20(23)15-21(16-26)24(28)27-22-8-3-2-4-9-22/h5-7,10-15,22H,2-4,8-9,17H2,1H3,(H,27,28)/b21-15+