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

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-oxidanylidene-3-(1-phenylethylamino)prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-keto-3-(1-phenylethylamino)prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)/C#N

InChI

InChI=1S/C27H24N2O4/c1-19(22-6-4-3-5-7-22)29-26(30)24(17-28)16-20-10-14-25(15-11-20)33-18-21-8-12-23(13-9-21)27(31)32-2/h3-16,19H,18H2,1-2H3,(H,29,30)/b24-16+