4-[[4-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: 4-[[4-[(Z)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: 4-[[4-[(Z)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(Z)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]phenoxy]methyl]benzoate IUPAC Name: 4-[[4-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(Z)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]phenoxy]methyl]benzoate Formula: C25H19N2O4- MolecularWeight: 411.42936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

InChI=1S/C25H20N2O4/c26-15-22(24(28)27-16-19-4-2-1-3-5-19)14-18-8-12-23(13-9-18)31-17-20-6-10-21(11-7-20)25(29)30/h1-14H,16-17H2,(H,27,28)(H,29,30)/p-1/b22-14-