[4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 2-phenethylbenzoate

Systemtic Name: [4-(2-cyano-2-phenyl-ethenyl)-2-methoxy-phenyl] 2-phenethylbenzoate Openeye Name: [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-2-phenylethenyl)-2-methoxyphenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-(2-cyano-2-phenyl-vinyl)-2-methoxy-phenyl] ester Formula: C31H25NO3 MolecularWeight: 459.5351

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C31H25NO3/c1-34-30-21-24(20-27(22-32)25-12-6-3-7-13-25)17-19-29(30)35-31(33)28-15-9-8-14-26(28)18-16-23-10-4-2-5-11-23/h2-15,17,19-21H,16,18H2,1H3