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

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 2-phenethylbenzoate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO4/c1-30-25(28)22(18-27)16-20-10-7-12-23(17-20)31-26(29)24-13-6-5-11-21(24)15-14-19-8-3-2-4-9-19/h2-13,16-17H,14-15H2,1H3/b22-16+