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

Systemtic Name: [3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 2-phenethylbenzoate Openeye Name: [3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H23NO4/c1-2-31-26(29)23(19-28)17-21-11-8-13-24(18-21)32-27(30)25-14-7-6-12-22(25)16-15-20-9-4-3-5-10-20/h3-14,17-18H,2,15-16H2,1H3/b23-17+