3-cyanopropyl 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: 3-cyanopropyl 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: 3-cyanopropyl 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid 3-cyanopropyl ester Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OCCCC#N

InChI

InChI=1S/C18H15NO3/c19-9-3-4-10-21-17(20)11-14-12-22-16-8-7-13-5-1-2-6-15(13)18(14)16/h1-2,5-8,12H,3-4,10-11H2