3-cyanopropyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 3-cyanopropyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: 3-cyanopropyl 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid 3-cyanopropyl ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCCCC#N

InChI

InChI=1S/C20H17NO4/c21-12-6-7-13-23-20(22)19-17(14-24-15-8-2-1-3-9-15)16-10-4-5-11-18(16)25-19/h1-5,8-11H,6-7,13-14H2