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

Systemtic Name: [4-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 2-phenethylbenzoate Openeye Name: [4-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)-2-methoxy-phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-(2-cyano-3-keto-3-methoxy-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C27H23NO5/c1-31-25-17-20(16-22(18-28)26(29)32-2)13-15-24(25)33-27(30)23-11-7-6-10-21(23)14-12-19-8-4-3-5-9-19/h3-11,13,15-17H,12,14H2,1-2H3