(2-cyanophenyl)methyl 4-pyrrol-1-ylbenzoate

Systemtic Name: (2-cyanophenyl)methyl 4-pyrrol-1-ylbenzoate Openeye Name: (2-cyanophenyl)methyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid (2-cyanobenzyl) ester Formula: C19H14N2O2 MolecularWeight: 302.32666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)C#N

InChI

InChI=1S/C19H14N2O2/c20-13-16-5-1-2-6-17(16)14-23-19(22)15-7-9-18(10-8-15)21-11-3-4-12-21/h1-12H,14H2