[4-(cyanomethyl)phenyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [4-(cyanomethyl)phenyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [4-(cyanomethyl)phenyl] ester Formula: C18H13NO3 MolecularWeight: 291.30072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H13NO3/c1-12-15-4-2-3-5-16(15)22-17(12)18(20)21-14-8-6-13(7-9-14)10-11-19/h2-9H,10H2,1H3