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

Systemtic Name: [4-[2-(4-chlorophenyl)-2-cyano-ethenyl]-2-methoxy-phenyl] 2-phenethylbenzoate Openeye Name: [4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-(4-chlorophenyl)-2-cyanoethenyl]-2-methoxyphenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C31H24ClNO3 MolecularWeight: 493.98016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H24ClNO3/c1-35-30-20-23(19-26(21-33)24-14-16-27(32)17-15-24)12-18-29(30)36-31(34)28-10-6-5-9-25(28)13-11-22-7-3-2-4-8-22/h2-10,12,14-20H,11,13H2,1H3