[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 2-phenethylbenzoate

Systemtic Name: [4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 2-phenethylbenzoate Openeye Name: [4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-2-ethoxy-phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-ethoxyphenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-2-ethoxy-phenyl] ester Formula: C29H27NO5 MolecularWeight: 469.52838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C29H27NO5/c1-3-33-27-19-22(18-24(20-30)28(31)34-4-2)15-17-26(27)35-29(32)25-13-9-8-12-23(25)16-14-21-10-6-5-7-11-21/h5-13,15,17-19H,3-4,14,16H2,1-2H3