(2-cyanophenyl)methyl 3-pyrrol-1-ylbenzoate

Systemtic Name: (2-cyanophenyl)methyl 3-pyrrol-1-ylbenzoate Openeye Name: (2-cyanophenyl)methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-pyrrol-1-ylbenzoate Traditional Name: 3-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(=CC=C2)N3C=CC=C3)C#N

Isomeric SMILES

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

InChI

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