[4-(4-cyanophenyl)phenyl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H17NO3 MolecularWeight: 403.42878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H17NO3/c28-16-18-5-7-19(8-6-18)20-9-12-23(13-10-20)31-26(29)15-22-17-30-25-14-11-21-3-1-2-4-24(21)27(22)25/h1-14,17H,15H2