(3-cyanophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (3-cyanophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (3-cyanophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (3-cyanobenzyl) ester Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C21H18N2O2/c1-15-6-7-16(2)23(15)20-10-8-19(9-11-20)21(24)25-14-18-5-3-4-17(12-18)13-22/h3-12H,14H2,1-2H3